2,6-diphenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline

C44H29N3 — CID 70958763

IUPAC2,6-diphenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3)c3cc(-c4ccccc4)c4ccccc4c3n2)cc1
InChIInChI=1S/C44H29N3/c1-4-14-30(15-5-1)37-28-39-38(29-41(32-16-6-2-7-17-32)45-43(39)36-21-11-10-20-35(36)37)31-24-26-34(27-25-31)47-42-23-13-12-22-40(42)46-44(47)33-18-8-3-9-19-33/h1-29H
InChIKeyDYDBRSWPWUHIEH-UHFFFAOYSA-N
MW599.74 g/mol
LogP11.39
Rot. Bonds5

About 2,6-diphenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline

2,6-diphenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline (PubChem CID 70958763) has the molecular formula C44H29N3 and a molecular weight of 599.74 g/mol. Its IUPAC name is 2,6-diphenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline.

Molecular Properties

Compound Name2,6-diphenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline
PubChem CID70958763
Molecular FormulaC44H29N3
Molecular Weight599.74 g/mol
Exact Mass599.24
IUPAC Name2,6-diphenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3)c3cc(-c4ccccc4)c4ccccc4c3n2)cc1
InChIInChI=1S/C44H29N3/c1-4-14-30(15-5-1)37-28-39-38(29-41(32-16-6-2-7-17-32)45-43(39)36-21-11-10-20-35(36)37)31-24-26-34(27-25-31)47-42-23-13-12-22-40(42)46-44(47)33-18-8-3-9-19-33/h1-29H
InChIKeyDYDBRSWPWUHIEH-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'}

Analyze 2,6-diphenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline
CID 70958726
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
CID 70958976
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
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
2-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 87412319
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
3-phenyl-19-[4-(2-phenylbenzimidazol-1-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene
CID 87414549
2-phenyl-1-[4-(11-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827456
2-[4-(10-phenylanthracen-9-yl)phenyl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,10-phenanthroline
CID 122578272
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 2,6-diphenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline?
The IUPAC name of 2,6-diphenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline (CID 70958763) is 2,6-diphenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline.
What is the SMILES notation for 2,6-diphenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline?
The canonical SMILES for 2,6-diphenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline is c1ccc(-c2cc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3)c3cc(-c4ccccc4)c4ccccc4c3n2)cc1.
What is the InChIKey of 2,6-diphenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline?
The InChIKey is DYDBRSWPWUHIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3/c1-4-14-30(15-5-1)37-28-39-38(29-41(32-16-6-2-7-17-32)45-43(39)36-21-11-10-20-35(36)37)31-24-26-34(27-25-31)47-42-23-13-12-22-40(42)46-44(47)33-18-8-3-9-19-33/h1-29H.
What are the key properties of 2,6-diphenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline?
2,6-diphenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[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 2,6-diphenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline is sourced from PubChem (CID 70958763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).