1-[2-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylbenzimidazole

C40H28N2 — CID 170235690

IUPAC1-[2-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1-c1ccccc1-c1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2c1
InChIInChI=1S/C40H28N2/c1-27-41-36-21-11-13-23-38(36)42(27)37-22-12-10-18-31(37)30-24-25-34-35(26-30)40(29-16-6-3-7-17-29)33-20-9-8-19-32(33)39(34)28-14-4-2-5-15-28/h2-26H,1H3
InChIKeyPBUGDYXSKCFQHK-UHFFFAOYSA-N
MW536.68 g/mol
LogP10.64
Rot. Bonds4

About 1-[2-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylbenzimidazole

1-[2-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylbenzimidazole (PubChem CID 170235690) has the molecular formula C40H28N2 and a molecular weight of 536.68 g/mol. Its IUPAC name is 1-[2-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylbenzimidazole.

Molecular Properties

Compound Name1-[2-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylbenzimidazole
PubChem CID170235690
Molecular FormulaC40H28N2
Molecular Weight536.68 g/mol
Exact Mass536.23
IUPAC Name1-[2-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1-c1ccccc1-c1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2c1
InChIInChI=1S/C40H28N2/c1-27-41-36-21-11-13-23-38(36)42(27)37-22-12-10-18-31(37)30-24-25-34-35(26-30)40(29-16-6-3-7-17-29)33-20-9-8-19-32(33)39(34)28-14-4-2-5-15-28/h2-26H,1H3
InChIKeyPBUGDYXSKCFQHK-UHFFFAOYSA-N
XLogP10.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.68
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[2-(10-phenylanthracen-9-yl)phenyl]benzimidazole
CID 170235498
1-[2-[9,10-diphenyl-6-[2-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylbenzimidazole
CID 58953786
1-[2-[3,10-bis(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 169072041
2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]benzimidazole
CID 155333103
2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 87412320
2-methyl-1-[4-(10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 139519819
1-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 58898414
6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-phenylanthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-phenylanthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-phenylanthracen-1-yl]-2-phenylbenzimidazole;2-phenyl-1-[10-phenyl-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]benzimidazole
CID 159553812
2-methyl-1-[4-[10-[3-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 59408445
2-ethyl-1-[2-[3-(2,3,4,5,6-pentadeuteriophenyl)-10-phenylanthracen-9-yl]phenyl]benzimidazole
CID 169071719
1-[9,10-diphenyl-6-(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole
CID 58953744
2-methyl-5-[6-(2-methyl-1-phenylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]-1-phenylbenzimidazole
CID 58953669

Frequently Asked Questions

What is the IUPAC name of 1-[2-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylbenzimidazole?
The IUPAC name of 1-[2-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylbenzimidazole (CID 170235690) is 1-[2-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylbenzimidazole.
What is the SMILES notation for 1-[2-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylbenzimidazole?
The canonical SMILES for 1-[2-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylbenzimidazole is Cc1nc2ccccc2n1-c1ccccc1-c1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2c1.
What is the InChIKey of 1-[2-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylbenzimidazole?
The InChIKey is PBUGDYXSKCFQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N2/c1-27-41-36-21-11-13-23-38(36)42(27)37-22-12-10-18-31(37)30-24-25-34-35(26-30)40(29-16-6-3-7-17-29)33-20-9-8-19-32(33)39(34)28-14-4-2-5-15-28/h2-26H,1H3.
What are the key properties of 1-[2-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylbenzimidazole?
1-[2-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylbenzimidazole has a molecular weight of 536.68 g/mol, XLogP of 10.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylbenzimidazole is sourced from PubChem (CID 170235690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).