720071 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 3 -1 1 1 1 2 2 2 3 4 4 5 6 6 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 19 20 20 21 21 22 22 23 23 24 5 6 7 3 5 8 7 7 13 25 9 10 11 12 14 26 15 27 16 28 17 29 20 21 18 30 18 31 19 32 19 33 34 35 22 36 23 37 24 38 24 39 40 1 1 1 1 2 1 1 2 1 1 2 1 2 1 1 1 2 1 1 1 2 1 2 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 4.6701 4.1701 5.1701 6.4302 3.8611 4.6701 5.4791 3.5823 3.8041 5.5361 2.5878 3.989 7.1733 3.8041 5.5361 2 3.4013 4.6701 2.4067 6.9654 8.1244 7.7085 8.8675 8.6596 3.2714 3.2671 6.073 2.3356 4.6056 3.2671 6.073 1.3834 3.6534 4.6701 2.0423 6.3757 8.2533 7.5796 9.4572 9.1204 -0.5352 1.0036 1.0036 -0.2564 0.0526 -1.5352 0.0526 1.8126 -2.0352 -2.0352 1.7081 2.7262 0.4127 -3.0352 -3.0352 2.5171 3.5352 -3.5352 3.4307 1.3908 0.1037 2.06 0.7728 1.751 -0.139 -1.7252 -1.7252 1.1417 2.791 -3.3452 -3.3452 2.4523 4.1016 -4.1552 3.9323 1.5824 -0.5028 2.6664 0.5812 2.1658 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 3 6 6 8 8 9 10 11 12 13 13 14 15 16 17 20 21 22 23 5 7 3 5 7 9 10 11 12 14 15 16 17 20 21 18 18 19 19 22 23 24 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 466 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B80000000000000000000000000000001000000003060C0000000000000015000001C0008000000080881100431C083000000A000244364009204012102001D8800086488882022C0999184200860800248C8271000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1,4-diphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-ylidene)-phenyl-amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H16N4/c1-4-10-17(11-5-1)21-20-22-24(19-14-8-3-9-15-19)16-23(20)18-12-6-2-7-13-18/h1-16H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 CWGBFIRHYJNILV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 312.137496527 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H16N4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 312.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)N=C2[N-][N+](=CN2C3=CC=CC=C3)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)N=C2[N-][N+](=CN2C3=CC=CC=C3)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 19.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 312.137496527 24 0 0 0 0 0 0 0 1 -1