6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline

C44H29N3 — CID 70958976

IUPAC6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)c3cc(-c4ccc5c(c4)nc(-c4ccccc4)n5-c4ccccc4)c4ccccc4c3n2)cc1
InChIInChI=1S/C44H29N3/c1-5-15-30(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/h1-29H
InChIKeyOMRHDYGNXVHRGZ-UHFFFAOYSA-N
MW599.74 g/mol
LogP11.39
Rot. Bonds5

About 6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline

6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline (PubChem CID 70958976) has the molecular formula C44H29N3 and a molecular weight of 599.74 g/mol. Its IUPAC name is 6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline.

Molecular Properties

Compound Name6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline
PubChem CID70958976
Molecular FormulaC44H29N3
Molecular Weight599.74 g/mol
Exact Mass599.24
IUPAC Name6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)c3cc(-c4ccc5c(c4)nc(-c4ccccc4)n5-c4ccccc4)c4ccccc4c3n2)cc1
InChIInChI=1S/C44H29N3/c1-5-15-30(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/h1-29H
InChIKeyOMRHDYGNXVHRGZ-UHFFFAOYSA-N
XLogP11.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.74
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
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
4-(1,2-diphenylbenzimidazol-5-yl)-2,6-dinaphthalen-2-ylbenzo[h]quinoline
CID 70958695
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
4,6-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
5-(12-naphthalen-2-ylchrysen-6-yl)-1,2-diphenylbenzimidazole
CID 143743337
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-(2,6-diphenyl-4-pyridinyl)-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazole
CID 59010716
5-(4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28-pentadecaenyl)-1,2-diphenylbenzimidazole
CID 130269142
1-phenyl-2-(3-phenylphenyl)-5-[10-(2-phenylphenyl)anthracen-9-yl]benzimidazole
CID 59010697
6-[4-(2-phenylindol-1-yl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline
CID 121441288

Frequently Asked Questions

What is the IUPAC name of 6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline?
The IUPAC name of 6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline (CID 70958976) is 6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline.
What is the SMILES notation for 6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline?
The canonical SMILES for 6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline is 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?
The InChIKey is OMRHDYGNXVHRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3/c1-5-15-30(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/h1-29H.
What are the key properties of 6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline?
6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline has a molecular weight of 599.74 g/mol, XLogP of 11.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline is sourced from PubChem (CID 70958976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).