8-[3-(4-bromophenyl)-5-phenyl-1,2,4-triazol-4-yl]quinoline;9H-carbazole;9-[4-(5-phenyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole

C70H47BrN10 — CID 159150663

IUPAC8-[3-(4-bromophenyl)-5-phenyl-1,2,4-triazol-4-yl]quinoline;9H-carbazole;9-[4-(5-phenyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole
SMILESBrc1ccc(-c2nnc(-c3ccccc3)n2-c2cccc3cccnc23)cc1.c1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2-c2cccc3cccnc23)cc1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C35H23N5.C23H15BrN4.C12H9N/c1-2-10-25(11-3-1)34-37-38-35(40(34)32-18-8-12-24-13-9-23-36-33(24)32)26-19-21-27(22-20-26)39-30-16-6-4-14-28(30)29-15-5-7-17-31(29)39;24-19-13-11-18(12-14-19)23-27-26-22(17-6-2-1-3-7-17)28(23)20-10-4-8-16-9-5-15-25-21(16)20;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-23H;1-15H;1-8,13H
InChIKeyKJFYMTBADBEIQJ-UHFFFAOYSA-N
MW1108.12 g/mol
LogP17.48
Rot. Bonds7

About 8-[3-(4-bromophenyl)-5-phenyl-1,2,4-triazol-4-yl]quinoline;9H-carbazole;9-[4-(5-phenyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole

8-[3-(4-bromophenyl)-5-phenyl-1,2,4-triazol-4-yl]quinoline;9H-carbazole;9-[4-(5-phenyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole (PubChem CID 159150663) has the molecular formula C70H47BrN10 and a molecular weight of 1108.12 g/mol. Its IUPAC name is 8-[3-(4-bromophenyl)-5-phenyl-1,2,4-triazol-4-yl]quinoline;9H-carbazole;9-[4-(5-phenyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole.

Molecular Properties

Compound Name8-[3-(4-bromophenyl)-5-phenyl-1,2,4-triazol-4-yl]quinoline;9H-carbazole;9-[4-(5-phenyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole
PubChem CID159150663
Molecular FormulaC70H47BrN10
Molecular Weight1108.12 g/mol
Exact Mass1106.32
IUPAC Name8-[3-(4-bromophenyl)-5-phenyl-1,2,4-triazol-4-yl]quinoline;9H-carbazole;9-[4-(5-phenyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole
SMILESBrc1ccc(-c2nnc(-c3ccccc3)n2-c2cccc3cccnc23)cc1.c1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2-c2cccc3cccnc23)cc1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C35H23N5.C23H15BrN4.C12H9N/c1-2-10-25(11-3-1)34-37-38-35(40(34)32-18-8-12-24-13-9-23-36-33(24)32)26-19-21-27(22-20-26)39-30-16-6-4-14-28(30)29-15-5-7-17-31(29)39;24-19-13-11-18(12-14-19)23-27-26-22(17-6-2-1-3-7-17)28(23)20-10-4-8-16-9-5-15-25-21(16)20;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-23H;1-15H;1-8,13H
InChIKeyKJFYMTBADBEIQJ-UHFFFAOYSA-N
XLogP17.48
TPSA107.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001108.12
LogP ≤ 517.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 8-[3-(4-bromophenyl)-5-phenyl-1,2,4-triazol-4-yl]quinoline;9H-carbazole;9-[4-(5-phenyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole with MolForge

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Related Compounds

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CID 146302079
8-(3-bromo-1H-indol-7-yl)-7-fluoro-1,4,4-trimethyl-9-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline
CID 146311900
4,5-dimethylphenanthro[9,10-b]pyrazin-4-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;4-methyl-3-(2-methylphenyl)-1-propyl-1,2,4-triazol-4-ium;3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]-1H-benzimidazol-3-ium;3-methyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-1H-benzimidazol-3-ium;1,3,12-trimethylphenanthro[9,10-b]pyrazin-1-ium
CID 157633879
2-(3-bromophenyl)-4,6-diphenylpyrimidine;10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-a]carbazole;3-[2-(trifluoromethyl)phenyl]-10H-pyrrolo[3,2-a]carbazole
CID 157722401
10-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]isoquinoline;2-(1-methylbenzimidazol-2-yl)ethanamine;N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]isoquinolin-10-amine;hydrochloride
CID 158209785
4,5-dimethylphenanthro[9,10-b]pyrazin-4-ium;2-(2,5-dimethylphenyl)-3-methyl-1H-benzimidazol-3-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;4-methyl-3-(2-methylphenyl)-1-propyl-1,2,4-triazol-4-ium;3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]-1H-benzimidazol-3-ium;1,3,12-trimethylphenanthro[9,10-b]pyrazin-1-ium
CID 159529945
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CID 89929820

Frequently Asked Questions

What is the IUPAC name of 8-[3-(4-bromophenyl)-5-phenyl-1,2,4-triazol-4-yl]quinoline;9H-carbazole;9-[4-(5-phenyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole?
The IUPAC name of 8-[3-(4-bromophenyl)-5-phenyl-1,2,4-triazol-4-yl]quinoline;9H-carbazole;9-[4-(5-phenyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole (CID 159150663) is 8-[3-(4-bromophenyl)-5-phenyl-1,2,4-triazol-4-yl]quinoline;9H-carbazole;9-[4-(5-phenyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole.
What is the SMILES notation for 8-[3-(4-bromophenyl)-5-phenyl-1,2,4-triazol-4-yl]quinoline;9H-carbazole;9-[4-(5-phenyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole?
The canonical SMILES for 8-[3-(4-bromophenyl)-5-phenyl-1,2,4-triazol-4-yl]quinoline;9H-carbazole;9-[4-(5-phenyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole is Brc1ccc(-c2nnc(-c3ccccc3)n2-c2cccc3cccnc23)cc1.c1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2-c2cccc3cccnc23)cc1.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 8-[3-(4-bromophenyl)-5-phenyl-1,2,4-triazol-4-yl]quinoline;9H-carbazole;9-[4-(5-phenyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole?
The InChIKey is KJFYMTBADBEIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N5.C23H15BrN4.C12H9N/c1-2-10-25(11-3-1)34-37-38-35(40(34)32-18-8-12-24-13-9-23-36-33(24)32)26-19-21-27(22-20-26)39-30-16-6-4-14-28(30)29-15-5-7-17-31(29)39;24-19-13-11-18(12-14-19)23-27-26-22(17-6-2-1-3-7-17)28(23)20-10-4-8-16-9-5-15-25-21(16)20;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-23H;1-15H;1-8,13H.
What are the key properties of 8-[3-(4-bromophenyl)-5-phenyl-1,2,4-triazol-4-yl]quinoline;9H-carbazole;9-[4-(5-phenyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole?
8-[3-(4-bromophenyl)-5-phenyl-1,2,4-triazol-4-yl]quinoline;9H-carbazole;9-[4-(5-phenyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole has a molecular weight of 1108.12 g/mol, XLogP of 17.48, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(4-bromophenyl)-5-phenyl-1,2,4-triazol-4-yl]quinoline;9H-carbazole;9-[4-(5-phenyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole is sourced from PubChem (CID 159150663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).