2-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c]quinoline

C48H32N6 — CID 146581262

IUPAC2-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c]quinoline
SMILESc1ccc(-c2nc3ccccc3c3nc(-c4ccc(-c5ccc(-n6c(-c7ccccc7)nnc6-c6ccccc6)cc5)cc4)n(-c4ccccc4)c23)cc1
InChIInChI=1S/C48H32N6/c1-5-15-35(16-6-1)43-45-44(41-23-13-14-24-42(41)49-43)50-46(53(45)39-21-11-4-12-22-39)38-27-25-33(26-28-38)34-29-31-40(32-30-34)54-47(36-17-7-2-8-18-36)51-52-48(54)37-19-9-3-10-20-37/h1-32H
InChIKeyCCAUSCVLDCFAKV-UHFFFAOYSA-N
MW692.83 g/mol
LogP11.49
Rot. Bonds7

About 2-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c]quinoline

2-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c]quinoline (PubChem CID 146581262) has the molecular formula C48H32N6 and a molecular weight of 692.83 g/mol. Its IUPAC name is 2-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c]quinoline.

Molecular Properties

Compound Name2-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c]quinoline
PubChem CID146581262
Molecular FormulaC48H32N6
Molecular Weight692.83 g/mol
Exact Mass692.27
IUPAC Name2-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c]quinoline
SMILESc1ccc(-c2nc3ccccc3c3nc(-c4ccc(-c5ccc(-n6c(-c7ccccc7)nnc6-c6ccccc6)cc5)cc4)n(-c4ccccc4)c23)cc1
InChIInChI=1S/C48H32N6/c1-5-15-35(16-6-1)43-45-44(41-23-13-14-24-42(41)49-43)50-46(53(45)39-21-11-4-12-22-39)38-27-25-33(26-28-38)34-29-31-40(32-30-34)54-47(36-17-7-2-8-18-36)51-52-48(54)37-19-9-3-10-20-37/h1-32H
InChIKeyCCAUSCVLDCFAKV-UHFFFAOYSA-N
XLogP11.49
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.83
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c]quinoline with MolForge

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Related Compounds

2-[4-(4-bromophenyl)phenyl]-3,4-diphenylimidazo[4,5-c]quinoline
CID 153490097
3-(4-methylphenyl)-2-phenylphenanthro[9,10-d]imidazole
CID 139176008
2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c][1,5]naphthyridine
CID 146581219
11-phenyl-12-[4-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole
CID 126500785
9-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole
CID 59844937
3,4-diphenyl-14-(4-phenylquinazolin-2-yl)-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),4,7,9,11,15,17,19-nonaene
CID 177077200
4-[4-(3,5-diphenylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine
CID 139498588
2-(4-ethenylphenyl)-3-phenylphenanthro[9,10-d]imidazole
CID 174682704
2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-3-phenylphenanthro[9,10-d]imidazole
CID 89279828
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinoline
CID 146581227
9-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130393336
3,5-diphenyl-4-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]-1,2,4-triazole
CID 58489447

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c]quinoline?
The IUPAC name of 2-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c]quinoline (CID 146581262) is 2-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c]quinoline.
What is the SMILES notation for 2-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c]quinoline?
The canonical SMILES for 2-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c]quinoline is c1ccc(-c2nc3ccccc3c3nc(-c4ccc(-c5ccc(-n6c(-c7ccccc7)nnc6-c6ccccc6)cc5)cc4)n(-c4ccccc4)c23)cc1.
What is the InChIKey of 2-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c]quinoline?
The InChIKey is CCAUSCVLDCFAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N6/c1-5-15-35(16-6-1)43-45-44(41-23-13-14-24-42(41)49-43)50-46(53(45)39-21-11-4-12-22-39)38-27-25-33(26-28-38)34-29-31-40(32-30-34)54-47(36-17-7-2-8-18-36)51-52-48(54)37-19-9-3-10-20-37/h1-32H.
What are the key properties of 2-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c]quinoline?
2-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c]quinoline has a molecular weight of 692.83 g/mol, XLogP of 11.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c]quinoline is sourced from PubChem (CID 146581262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).