6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline;2,4-diphenyl-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline

C96H64N6 — CID 161113557

IUPAC6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline;2,4-diphenyl-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)c3cc(-c4ccc(-n5c(-c6ccccc6)nc(-c6ccccc6)c5-c5ccccc5)cc4)c4ccccc4c3n2)cc1.c1ccc(-c2cc(-c3ccccc3)c3cc(-c4ccc5c(c4)nc(-c4ccccc4)n5-c4ccccc4)c4ccccc4c3n2)cc1
InChIInChI=1S/C52H35N3.C44H29N3/c1-6-18-36(19-7-1)46-35-48(38-20-8-2-9-21-38)53-50-44-29-17-16-28-43(44)45(34-47(46)50)37-30-32-42(33-31-37)55-51(40-24-12-4-13-25-40)49(39-22-10-3-11-23-39)54-52(55)41-26-14-5-15-27-41;1-5-15-30(16-6-1)38-29-40(31-17-7-2-8-18-31)45-43-36-24-14-13-23-35(36)37(28-39(38)43)33-25-26-42-41(27-33)46-44(32-19-9-3-10-20-32)47(42)34-21-11-4-12-22-34/h1-35H;1-29H
InChIKeyUKAAEZULOZKSNT-UHFFFAOYSA-N
MW1301.61 g/mol
LogP24.97
Rot. Bonds12

About 6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline;2,4-diphenyl-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline

6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline;2,4-diphenyl-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline (PubChem CID 161113557) has the molecular formula C96H64N6 and a molecular weight of 1301.61 g/mol. Its IUPAC name is 6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline;2,4-diphenyl-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline.

Molecular Properties

Compound Name6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline;2,4-diphenyl-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline
PubChem CID161113557
Molecular FormulaC96H64N6
Molecular Weight1301.61 g/mol
Exact Mass1300.52
IUPAC Name6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline;2,4-diphenyl-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)c3cc(-c4ccc(-n5c(-c6ccccc6)nc(-c6ccccc6)c5-c5ccccc5)cc4)c4ccccc4c3n2)cc1.c1ccc(-c2cc(-c3ccccc3)c3cc(-c4ccc5c(c4)nc(-c4ccccc4)n5-c4ccccc4)c4ccccc4c3n2)cc1
InChIInChI=1S/C52H35N3.C44H29N3/c1-6-18-36(19-7-1)46-35-48(38-20-8-2-9-21-38)53-50-44-29-17-16-28-43(44)45(34-47(46)50)37-30-32-42(33-31-37)55-51(40-24-12-4-13-25-40)49(39-22-10-3-11-23-39)54-52(55)41-26-14-5-15-27-41;1-5-15-30(16-6-1)38-29-40(31-17-7-2-8-18-31)45-43-36-24-14-13-23-35(36)37(28-39(38)43)33-25-26-42-41(27-33)46-44(32-19-9-3-10-20-32)47(42)34-21-11-4-12-22-34/h1-35H;1-29H
InChIKeyUKAAEZULOZKSNT-UHFFFAOYSA-N
XLogP24.97
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001301.61
LogP ≤ 524.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline;2,4-diphenyl-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline with MolForge

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Related Compounds

6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline
CID 70958976
2-(1,2-diphenylbenzimidazol-5-yl)-4,6-diphenylbenzo[h]quinoline;4,6-diphenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline;4,6-diphenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline
CID 158321652
4,6-dinaphthalen-1-yl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline;4,6-dinaphthalen-1-yl-2-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline;2-(1,2-diphenylbenzimidazol-5-yl)-4,6-dinaphthalen-1-ylbenzo[h]quinoline
CID 157273193
4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline
CID 70958726
2,6-diphenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline
CID 70958763
4-(1,2-diphenylbenzimidazol-5-yl)-2,6-dinaphthalen-2-ylbenzo[h]quinoline
CID 70958695
2,6-dinaphthalen-1-yl-4-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline
CID 70958787
2-[4-(2,4-diphenylbenzo[h]quinolin-6-yl)phenyl]phenanthro[9,10-d][1,3]oxazole;2,4-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline
CID 161364783
2,4-bis(9,9-dimethylfluoren-2-yl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline;2,4-bis(9,9-dimethylfluoren-2-yl)-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline
CID 158083972
5-(12-naphthalen-2-ylchrysen-6-yl)-1,2-diphenylbenzimidazole
CID 143743337
2-(2,6-diphenyl-4-pyridinyl)-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazole
CID 59010716
2,4,5-triphenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]imidazole
CID 89292400

Frequently Asked Questions

What is the IUPAC name of 6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline;2,4-diphenyl-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline?
The IUPAC name of 6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline;2,4-diphenyl-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline (CID 161113557) is 6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline;2,4-diphenyl-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline.
What is the SMILES notation for 6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline;2,4-diphenyl-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline?
The canonical SMILES for 6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline;2,4-diphenyl-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline is c1ccc(-c2cc(-c3ccccc3)c3cc(-c4ccc(-n5c(-c6ccccc6)nc(-c6ccccc6)c5-c5ccccc5)cc4)c4ccccc4c3n2)cc1.c1ccc(-c2cc(-c3ccccc3)c3cc(-c4ccc5c(c4)nc(-c4ccccc4)n5-c4ccccc4)c4ccccc4c3n2)cc1.
What is the InChIKey of 6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline;2,4-diphenyl-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline?
The InChIKey is UKAAEZULOZKSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3.C44H29N3/c1-6-18-36(19-7-1)46-35-48(38-20-8-2-9-21-38)53-50-44-29-17-16-28-43(44)45(34-47(46)50)37-30-32-42(33-31-37)55-51(40-24-12-4-13-25-40)49(39-22-10-3-11-23-39)54-52(55)41-26-14-5-15-27-41;1-5-15-30(16-6-1)38-29-40(31-17-7-2-8-18-31)45-43-36-24-14-13-23-35(36)37(28-39(38)43)33-25-26-42-41(27-33)46-44(32-19-9-3-10-20-32)47(42)34-21-11-4-12-22-34/h1-35H;1-29H.
What are the key properties of 6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline;2,4-diphenyl-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline?
6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline;2,4-diphenyl-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline has a molecular weight of 1301.61 g/mol, XLogP of 24.97, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline;2,4-diphenyl-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline is sourced from PubChem (CID 161113557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).