1-[4-(10-benzo[a]anthracen-4-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole

C51H32N2 — CID 59412495

IUPAC1-[4-(10-benzo[a]anthracen-4-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-c3c4ccccc4c(-c4cccc5c4ccc4cc6ccccc6cc45)c4ccccc34)cc2)cc1
InChIInChI=1S/C51H32N2/c1-2-13-34(14-3-1)51-52-47-23-10-11-24-48(47)53(51)38-28-25-33(26-29-38)49-42-17-6-8-19-44(42)50(45-20-9-7-18-43(45)49)41-22-12-21-39-40(41)30-27-37-31-35-15-4-5-16-36(35)32-46(37)39/h1-32H
InChIKeyCALGFVFJTNRJGD-UHFFFAOYSA-N
MW672.83 g/mol
LogP13.79
Rot. Bonds4

About 1-[4-(10-benzo[a]anthracen-4-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole

1-[4-(10-benzo[a]anthracen-4-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole (PubChem CID 59412495) has the molecular formula C51H32N2 and a molecular weight of 672.83 g/mol. Its IUPAC name is 1-[4-(10-benzo[a]anthracen-4-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[4-(10-benzo[a]anthracen-4-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole
PubChem CID59412495
Molecular FormulaC51H32N2
Molecular Weight672.83 g/mol
Exact Mass672.26
IUPAC Name1-[4-(10-benzo[a]anthracen-4-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-c3c4ccccc4c(-c4cccc5c4ccc4cc6ccccc6cc45)c4ccccc34)cc2)cc1
InChIInChI=1S/C51H32N2/c1-2-13-34(14-3-1)51-52-47-23-10-11-24-48(47)53(51)38-28-25-33(26-29-38)49-42-17-6-8-19-44(42)50(45-20-9-7-18-43(45)49)41-22-12-21-39-40(41)30-27-37-31-35-15-4-5-16-36(35)32-46(37)39/h1-32H
InChIKeyCALGFVFJTNRJGD-UHFFFAOYSA-N
XLogP13.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.83
LogP ≤ 513.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-(10-benzo[a]anthracen-4-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole 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

2-(4-benzo[a]anthracen-4-ylphenyl)-1-phenylbenzimidazole
CID 59412563
1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474
2-phenyl-1-[4-(11-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827456
1-[4-[10-[3-[3-[5-[10-[4-(2-methylbenzimidazol-1-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]phenyl]-5-phenylphenyl]anthracen-9-yl]phenyl]-2-phenylbenzimidazole
CID 139519929
1-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953721
2-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 87412319
2-[4-(10-benzo[a]anthracen-4-ylanthracen-9-yl)phenyl]-1-cyclohexa-1,3-dien-1-ylbenzimidazole
CID 88966254
1-(5,12-diphenyltetracen-2-yl)-2-phenylbenzimidazole
CID 168827455
1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)benzimidazole
CID 59010615
2-[4-[9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 159805058
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(4-pyren-1-ylphenyl)benzimidazole
CID 59010610

Frequently Asked Questions

What is the IUPAC name of 1-[4-(10-benzo[a]anthracen-4-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole?
The IUPAC name of 1-[4-(10-benzo[a]anthracen-4-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole (CID 59412495) is 1-[4-(10-benzo[a]anthracen-4-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[4-(10-benzo[a]anthracen-4-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[4-(10-benzo[a]anthracen-4-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole is c1ccc(-c2nc3ccccc3n2-c2ccc(-c3c4ccccc4c(-c4cccc5c4ccc4cc6ccccc6cc45)c4ccccc34)cc2)cc1.
What is the InChIKey of 1-[4-(10-benzo[a]anthracen-4-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole?
The InChIKey is CALGFVFJTNRJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2/c1-2-13-34(14-3-1)51-52-47-23-10-11-24-48(47)53(51)38-28-25-33(26-29-38)49-42-17-6-8-19-44(42)50(45-20-9-7-18-43(45)49)41-22-12-21-39-40(41)30-27-37-31-35-15-4-5-16-36(35)32-46(37)39/h1-32H.
What are the key properties of 1-[4-(10-benzo[a]anthracen-4-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole?
1-[4-(10-benzo[a]anthracen-4-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole has a molecular weight of 672.83 g/mol, XLogP of 13.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(10-benzo[a]anthracen-4-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole is sourced from PubChem (CID 59412495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).