9-(2-chloro-3-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2-chloro-4-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2,6-dichlorophenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(3-fluoro-4-methoxyphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-phenyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-phenyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene

C123H89Cl4FN18O — CID 158016539

IUPAC9-(2-chloro-3-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2-chloro-4-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2,6-dichlorophenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(3-fluoro-4-methoxyphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-phenyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-phenyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene
SMILESCOc1ccc(C2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1F.Cc1ccc(C2Nc3ccccc3-c3ccnc4[nH]cc2c34)c(Cl)c1.Cc1cccc(C2Nc3ccccc3-c3ccnc4[nH]cc2c34)c1Cl.Clc1cccc(Cl)c1C1Nc2ccccc2-c2ccnc3[nH]cc1c23.c1ccc(-c2nc3ccccc3c3cc[nH]c4ncc2c43)cc1.c1ccc(C2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1
InChIInChI=1S/2C21H16ClN3.C21H16FN3O.C20H13Cl2N3.C20H15N3.C20H13N3/c1-12-5-4-7-15(19(12)22)20-16-11-24-21-18(16)14(9-10-23-21)13-6-2-3-8-17(13)25-20;1-12-6-7-15(17(22)10-12)20-16-11-24-21-19(16)14(8-9-23-21)13-4-2-3-5-18(13)25-20;1-26-18-7-6-12(10-16(18)22)20-15-11-24-21-19(15)14(8-9-23-21)13-4-2-3-5-17(13)25-20;21-14-5-3-6-15(22)18(14)19-13-10-24-20-17(13)12(8-9-23-20)11-4-1-2-7-16(11)25-19;2*1-2-6-13(7-3-1)19-16-12-22-20-18(16)15(10-11-21-20)14-8-4-5-9-17(14)23-19/h2*2-11,20,25H,1H3,(H,23,24);2-11,20,25H,1H3,(H,23,24);1-10,19,25H,(H,23,24);1-12,19,23H,(H,21,22);1-12H,(H,21,22)
InChIKeyFFNQJAIQYPDXTJ-UHFFFAOYSA-N
MW1996.00 g/mol
LogP32.03
Rot. Bonds7

About 9-(2-chloro-3-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2-chloro-4-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2,6-dichlorophenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(3-fluoro-4-methoxyphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-phenyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-phenyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene

9-(2-chloro-3-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2-chloro-4-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2,6-dichlorophenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(3-fluoro-4-methoxyphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-phenyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-phenyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene (PubChem CID 158016539) has the molecular formula C123H89Cl4FN18O and a molecular weight of 1996.00 g/mol. Its IUPAC name is 9-(2-chloro-3-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2-chloro-4-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2,6-dichlorophenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(3-fluoro-4-methoxyphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-phenyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-phenyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene.

Molecular Properties

Compound Name9-(2-chloro-3-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2-chloro-4-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2,6-dichlorophenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(3-fluoro-4-methoxyphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-phenyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-phenyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene
PubChem CID158016539
Molecular FormulaC123H89Cl4FN18O
Molecular Weight1996.00 g/mol
Exact Mass1992.62
IUPAC Name9-(2-chloro-3-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2-chloro-4-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2,6-dichlorophenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(3-fluoro-4-methoxyphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-phenyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-phenyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene
SMILESCOc1ccc(C2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1F.Cc1ccc(C2Nc3ccccc3-c3ccnc4[nH]cc2c34)c(Cl)c1.Cc1cccc(C2Nc3ccccc3-c3ccnc4[nH]cc2c34)c1Cl.Clc1cccc(Cl)c1C1Nc2ccccc2-c2ccnc3[nH]cc1c23.c1ccc(-c2nc3ccccc3c3cc[nH]c4ncc2c43)cc1.c1ccc(C2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1
InChIInChI=1S/2C21H16ClN3.C21H16FN3O.C20H13Cl2N3.C20H15N3.C20H13N3/c1-12-5-4-7-15(19(12)22)20-16-11-24-21-18(16)14(9-10-23-21)13-6-2-3-8-17(13)25-20;1-12-6-7-15(17(22)10-12)20-16-11-24-21-19(16)14(8-9-23-21)13-4-2-3-5-18(13)25-20;1-26-18-7-6-12(10-16(18)22)20-15-11-24-21-19(15)14(8-9-23-21)13-4-2-3-5-17(13)25-20;21-14-5-3-6-15(22)18(14)19-13-10-24-20-17(13)12(8-9-23-20)11-4-1-2-7-16(11)25-19;2*1-2-6-13(7-3-1)19-16-12-22-20-18(16)15(10-11-21-20)14-8-4-5-9-17(14)23-19/h2*2-11,20,25H,1H3,(H,23,24);2-11,20,25H,1H3,(H,23,24);1-10,19,25H,(H,23,24);1-12,19,23H,(H,21,22);1-12H,(H,21,22)
InChIKeyFFNQJAIQYPDXTJ-UHFFFAOYSA-N
XLogP32.03
TPSA254.35 Ų
H-Bond Donors11
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001996.00
LogP ≤ 532.03
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1013

Analyze 9-(2-chloro-3-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2-chloro-4-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2,6-dichlorophenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(3-fluoro-4-methoxyphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-phenyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-phenyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene with MolForge

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Related Compounds

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CID 159533142
2-[(2-chlorophenyl)methylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[(3-chlorophenyl)methylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[(3-fluorophenyl)methylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[(2-methoxyphenyl)methylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(1-phenylpropylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(pyridin-3-ylmethylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile
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N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine
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N-[(2-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;5-[(3,5-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-[(2-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;bis(N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine);5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine
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9-butyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2-chloro-4-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;(9R)-9-(2-chloro-4-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2-chloro-4-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene;3-methoxy-5-(8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaen-9-yl)benzene-1,2-diol;4-(8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaen-9-yl)butan-1-ol
CID 157705162
8-cyclopropyl-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-8-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine
CID 158151594

Frequently Asked Questions

What is the IUPAC name of 9-(2-chloro-3-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2-chloro-4-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2,6-dichlorophenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(3-fluoro-4-methoxyphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-phenyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-phenyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene?
The IUPAC name of 9-(2-chloro-3-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2-chloro-4-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2,6-dichlorophenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(3-fluoro-4-methoxyphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-phenyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-phenyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene (CID 158016539) is 9-(2-chloro-3-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2-chloro-4-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2,6-dichlorophenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(3-fluoro-4-methoxyphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-phenyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-phenyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene.
What is the SMILES notation for 9-(2-chloro-3-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2-chloro-4-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2,6-dichlorophenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(3-fluoro-4-methoxyphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-phenyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-phenyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene?
The canonical SMILES for 9-(2-chloro-3-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2-chloro-4-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2,6-dichlorophenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(3-fluoro-4-methoxyphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-phenyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-phenyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene is COc1ccc(C2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1F.Cc1ccc(C2Nc3ccccc3-c3ccnc4[nH]cc2c34)c(Cl)c1.Cc1cccc(C2Nc3ccccc3-c3ccnc4[nH]cc2c34)c1Cl.Clc1cccc(Cl)c1C1Nc2ccccc2-c2ccnc3[nH]cc1c23.c1ccc(-c2nc3ccccc3c3cc[nH]c4ncc2c43)cc1.c1ccc(C2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1.
What is the InChIKey of 9-(2-chloro-3-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2-chloro-4-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2,6-dichlorophenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(3-fluoro-4-methoxyphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-phenyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-phenyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene?
The InChIKey is FFNQJAIQYPDXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H16ClN3.C21H16FN3O.C20H13Cl2N3.C20H15N3.C20H13N3/c1-12-5-4-7-15(19(12)22)20-16-11-24-21-18(16)14(9-10-23-21)13-6-2-3-8-17(13)25-20;1-12-6-7-15(17(22)10-12)20-16-11-24-21-19(16)14(8-9-23-21)13-4-2-3-5-18(13)25-20;1-26-18-7-6-12(10-16(18)22)20-15-11-24-21-19(15)14(8-9-23-21)13-4-2-3-5-17(13)25-20;21-14-5-3-6-15(22)18(14)19-13-10-24-20-17(13)12(8-9-23-20)11-4-1-2-7-16(11)25-19;2*1-2-6-13(7-3-1)19-16-12-22-20-18(16)15(10-11-21-20)14-8-4-5-9-17(14)23-19/h2*2-11,20,25H,1H3,(H,23,24);2-11,20,25H,1H3,(H,23,24);1-10,19,25H,(H,23,24);1-12,19,23H,(H,21,22);1-12H,(H,21,22).
What are the key properties of 9-(2-chloro-3-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2-chloro-4-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2,6-dichlorophenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(3-fluoro-4-methoxyphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-phenyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-phenyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene?
9-(2-chloro-3-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2-chloro-4-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2,6-dichlorophenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(3-fluoro-4-methoxyphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-phenyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-phenyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene has a molecular weight of 1996.00 g/mol, XLogP of 32.03, 7 rotatable bonds, 11 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-chloro-3-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2-chloro-4-methylphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(2,6-dichlorophenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-(3-fluoro-4-methoxyphenyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-phenyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;9-phenyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene is sourced from PubChem (CID 158016539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).