67914193 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 41 42 43 44 45 46 7 7 6 6 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 1 2 2 3 3 3 4 4 5 5 6 6 7 7 8 9 9 10 11 11 12 13 13 14 14 15 15 16 16 17 18 18 19 20 20 20 21 21 22 22 23 23 24 24 25 25 26 27 28 8 12 26 28 4 5 6 7 11 8 13 9 12 10 14 15 10 29 30 16 31 32 18 33 17 34 19 35 17 36 37 19 38 39 21 22 24 23 26 25 40 27 41 28 42 27 43 44 45 46 1 2 2 1 1 1 2 1 2 1 2 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 2 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 41 42 43 44 45 46 3.2018 4.5274 3.2018 3.1857 2.3358 4.0678 4.0838 2.3358 4.9778 4.9858 2.2338 4.0678 1.4418 4.0921 1.4418 2.2171 3.1525 0.5357 0.5357 2.7954 2.7954 1.9014 1.9014 3.6614 0.9953 3.6614 0.9953 4.5274 5.5111 5.524 1.7029 4.6047 1.449 4.6302 1.449 1.6766 3.1501 0 0 1.9086 1.9086 3.6614 0.4596 3.6614 0.4596 5.0643 5.8167 9.6916 3.8167 2.7752 4.3167 4.3167 2.2475 5.3167 3.8099 2.7683 2.2546 5.3167 3.7821 1.1625 5.8514 1.1697 0.62 4.2959 5.3375 10.6915 9.6916 11.2262 9.1569 11.1915 10.7124 9.1916 9.6707 10.6915 4.1261 2.4603 2.5749 5.6267 3.1621 0.8546 6.4713 0.866 0 3.9838 5.6496 11.8462 8.5369 11.8115 11.0244 8.5716 9.3587 11.0015 8 8 8 8 8 8 8 8 8 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 3 3 4 4 5 5 6 6 7 7 8 9 11 13 14 15 16 18 20 20 20 21 21 22 23 24 25 8 12 26 28 4 5 6 7 11 8 13 9 12 10 14 15 10 16 18 17 19 17 19 21 22 24 23 26 25 27 28 27 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 411 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B00000000000000000000000000000000000000003C78C1820000000000F1FE00001C00000000000C08C11E043CC0F2081000A0033467440082802031022008D8203864980820E2C09191842008608000C8C8071080C00EC0000200001200008000040000240000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 benzo[k]phenanthridine;isoquinoline IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 benzo[k]phenanthridine;isoquinoline IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 benzo[k]phenanthridine;isoquinoline IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 benzo[k]phenanthridine;isoquinoline IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 benzo[k]phenanthridine;isoquinoline IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 benzo[k]phenanthridine;isoquinoline InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H11N.C9H7N/c1-2-6-14-12(5-1)9-10-13-11-18-16-8-4-3-7-15(16)17(13)14;1-2-4-9-7-10-6-5-8(9)3-1/h1-11H;1-7H InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 LOAQRYJNIQZQQB-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 358.146998583 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C26H18N2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 358.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C=NC=CC2=C1.C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4N=C3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C=NC=CC2=C1.C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4N=C3 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 25.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 358.146998583 28 0 0 0 0 0 0 0 2 -1