4-phenyl-2-(4-phenylbenzo[a]anthracen-7-yl)-1H-benzimidazole

C37H24N2 — CID 87464611

IUPAC4-phenyl-2-(4-phenylbenzo[a]anthracen-7-yl)-1H-benzimidazole
SMILESc1ccc(-c2cccc3c2ccc2c(-c4nc5c(-c6ccccc6)cccc5[nH]4)c4ccccc4cc23)cc1
InChIInChI=1S/C37H24N2/c1-3-11-24(12-4-1)27-17-9-19-30-31(27)21-22-32-33(30)23-26-15-7-8-16-28(26)35(32)37-38-34-20-10-18-29(36(34)39-37)25-13-5-2-6-14-25/h1-23H,(H,38,39)
InChIKeyZYJJLBTXQAWIGW-UHFFFAOYSA-N
MW496.61 g/mol
LogP10.02
Rot. Bonds3

About 4-phenyl-2-(4-phenylbenzo[a]anthracen-7-yl)-1H-benzimidazole

4-phenyl-2-(4-phenylbenzo[a]anthracen-7-yl)-1H-benzimidazole (PubChem CID 87464611) has the molecular formula C37H24N2 and a molecular weight of 496.61 g/mol. Its IUPAC name is 4-phenyl-2-(4-phenylbenzo[a]anthracen-7-yl)-1H-benzimidazole.

Molecular Properties

Compound Name4-phenyl-2-(4-phenylbenzo[a]anthracen-7-yl)-1H-benzimidazole
PubChem CID87464611
Molecular FormulaC37H24N2
Molecular Weight496.61 g/mol
Exact Mass496.19
IUPAC Name4-phenyl-2-(4-phenylbenzo[a]anthracen-7-yl)-1H-benzimidazole
SMILESc1ccc(-c2cccc3c2ccc2c(-c4nc5c(-c6ccccc6)cccc5[nH]4)c4ccccc4cc23)cc1
InChIInChI=1S/C37H24N2/c1-3-11-24(12-4-1)27-17-9-19-30-31(27)21-22-32-33(30)23-26-15-7-8-16-28(26)35(32)37-38-34-20-10-18-29(36(34)39-37)25-13-5-2-6-14-25/h1-23H,(H,38,39)
InChIKeyZYJJLBTXQAWIGW-UHFFFAOYSA-N
XLogP10.02
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 510.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1H-naphtho[2,1-e]benzimidazol-2-yl)-3-phenylphenyl]-1H-naphtho[2,1-e]benzimidazole
CID 87410342
7-phenanthren-9-yl-4-[4-(7-phenanthren-9-ylbenzo[a]anthracen-4-yl)phenyl]benzo[a]anthracene
CID 59412684
7-benzo[a]anthracen-4-yl-4-[4-(7-benzo[a]anthracen-4-ylbenzo[a]anthracen-4-yl)phenyl]benzo[a]anthracene
CID 59412613
3-(4-phenyl-1H-benzimidazol-2-yl)benzonitrile
CID 67701841
4-(10-methylanthracen-9-yl)-7-phenylbenzo[a]anthracene
CID 123622975
10-naphthalen-2-yl-1-(4-phenylphenyl)anthracene
CID 173141630
7-(4-phenylbenzo[a]anthracen-7-yl)naphtho[1,2-b][1]benzofuran
CID 177072224
9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 58194514
4-(10-phenylanthracen-9-yl)benzo[a]anthracene
CID 59412708
4-(4-benzo[a]anthracen-4-ylphenyl)benzo[a]anthracene
CID 59412541
9-(2,6-diphenylphenyl)-10-phenanthren-9-ylanthracene
CID 171447415
hydron;1-phenylanthracene
CID 174351162

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(4-phenylbenzo[a]anthracen-7-yl)-1H-benzimidazole?
The IUPAC name of 4-phenyl-2-(4-phenylbenzo[a]anthracen-7-yl)-1H-benzimidazole (CID 87464611) is 4-phenyl-2-(4-phenylbenzo[a]anthracen-7-yl)-1H-benzimidazole.
What is the SMILES notation for 4-phenyl-2-(4-phenylbenzo[a]anthracen-7-yl)-1H-benzimidazole?
The canonical SMILES for 4-phenyl-2-(4-phenylbenzo[a]anthracen-7-yl)-1H-benzimidazole is c1ccc(-c2cccc3c2ccc2c(-c4nc5c(-c6ccccc6)cccc5[nH]4)c4ccccc4cc23)cc1.
What is the InChIKey of 4-phenyl-2-(4-phenylbenzo[a]anthracen-7-yl)-1H-benzimidazole?
The InChIKey is ZYJJLBTXQAWIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2/c1-3-11-24(12-4-1)27-17-9-19-30-31(27)21-22-32-33(30)23-26-15-7-8-16-28(26)35(32)37-38-34-20-10-18-29(36(34)39-37)25-13-5-2-6-14-25/h1-23H,(H,38,39).
What are the key properties of 4-phenyl-2-(4-phenylbenzo[a]anthracen-7-yl)-1H-benzimidazole?
4-phenyl-2-(4-phenylbenzo[a]anthracen-7-yl)-1H-benzimidazole has a molecular weight of 496.61 g/mol, XLogP of 10.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(4-phenylbenzo[a]anthracen-7-yl)-1H-benzimidazole is sourced from PubChem (CID 87464611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).