2724868 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 6 6 6 6 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 1 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 20 21 21 22 22 23 24 2 3 9 4 10 5 11 6 12 7 13 8 14 8 15 16 17 25 18 26 19 27 20 28 21 29 22 30 23 31 24 32 19 33 20 34 35 36 23 37 24 38 39 40 2 1 1 1 1 2 1 2 1 1 1 1 1 2 1 1 2 1 2 1 2 1 2 1 2 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 9 2 4 10 3 1 3 1 11 5 7 13 3 1 4 2 12 6 8 14 3 1 7 5 15 8 6 16 3 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 4.9775 4.0536 5.9014 3.671 6.2841 4.0536 5.9014 4.9775 4.8257 3.4324 6.7375 2.6405 7.3146 3.2176 6.5227 5.1294 5.6471 2.3986 6.6095 2 7.955 3.3456 7.5564 4.3079 4.2501 3.6762 7.3075 2.4098 7.5452 2.6476 6.2788 5.7049 5.5638 2.0231 7.1028 1.3856 8.5694 2.8522 7.932 4.3912 -1.3066 -0.9239 -0.9239 0 0 0.9239 0.9239 1.3066 -2.3371 -1.7599 -1.5452 0.1519 -0.1519 1.5452 1.7599 2.3371 -2.9775 -1.6319 -2.5789 -0.6696 0.6696 2.5789 1.6319 2.9775 -2.5677 -2.33 -1.3013 0.7274 -0.7274 1.3013 2.33 2.5677 -3.5919 -2.1253 -2.9544 -0.5863 0.5863 2.9544 2.1253 3.5919 1 8 8 8 8 1 8 1 8 8 8 8 8 1 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 9 10 11 12 13 14 15 16 17 18 21 22 2 3 9 4 10 5 11 6 12 7 13 8 14 8 15 16 17 18 19 20 21 22 23 24 19 20 23 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 762 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0780000000000000000000000000000000000000000204081000000100000000000001800000000000C008000000000000000008002204200000000002000000808000000080800000001000000000080000880020000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 tetraphenylene IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 tetraphenylene IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 tetraphenylene IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 tetraphenylene IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 tetraphenylene IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 tetraphenylene InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C24H16/c1-2-10-18-17(9-1)19-11-3-4-13-21(19)23-15-7-8-16-24(23)22-14-6-5-12-20(18)22/h1-16H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 KTQYWNARBMKMCX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 304.125200510 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C24H16 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 304.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC2=C3C=CC=CC3=C4C=CC=CC4=C5C=CC=CC5=C2C=C1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC2=C3C=CC=CC3=C4C=CC=CC4=C5C=CC=CC5=C2C=C1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 304.125200510 24 0 0 0 4 0 4 0 1 -1