2-[10-(4-methylphenyl)anthracen-9-yl]-1-phenyl-4,5-dihydrobenzimidazole

C34H26N2 — CID 89265105

IUPAC2-[10-(4-methylphenyl)anthracen-9-yl]-1-phenyl-4,5-dihydrobenzimidazole
SMILESCc1ccc(-c2c3ccccc3c(-c3nc4c(n3-c3ccccc3)C=CCC4)c3ccccc23)cc1
InChIInChI=1S/C34H26N2/c1-23-19-21-24(22-20-23)32-26-13-5-7-15-28(26)33(29-16-8-6-14-27(29)32)34-35-30-17-9-10-18-31(30)36(34)25-11-3-2-4-12-25/h2-8,10-16,18-22H,9,17H2,1H3
InChIKeyZILCEQDUSRUZJJ-UHFFFAOYSA-N
MW462.60 g/mol
LogP8.78
Rot. Bonds3

About 2-[10-(4-methylphenyl)anthracen-9-yl]-1-phenyl-4,5-dihydrobenzimidazole

2-[10-(4-methylphenyl)anthracen-9-yl]-1-phenyl-4,5-dihydrobenzimidazole (PubChem CID 89265105) has the molecular formula C34H26N2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 2-[10-(4-methylphenyl)anthracen-9-yl]-1-phenyl-4,5-dihydrobenzimidazole.

Molecular Properties

Compound Name2-[10-(4-methylphenyl)anthracen-9-yl]-1-phenyl-4,5-dihydrobenzimidazole
PubChem CID89265105
Molecular FormulaC34H26N2
Molecular Weight462.60 g/mol
Exact Mass462.21
IUPAC Name2-[10-(4-methylphenyl)anthracen-9-yl]-1-phenyl-4,5-dihydrobenzimidazole
SMILESCc1ccc(-c2c3ccccc3c(-c3nc4c(n3-c3ccccc3)C=CCC4)c3ccccc23)cc1
InChIInChI=1S/C34H26N2/c1-23-19-21-24(22-20-23)32-26-13-5-7-15-28(26)33(29-16-8-6-14-27(29)32)34-35-30-17-9-10-18-31(30)36(34)25-11-3-2-4-12-25/h2-8,10-16,18-22H,9,17H2,1H3
InChIKeyZILCEQDUSRUZJJ-UHFFFAOYSA-N
XLogP8.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.60
LogP ≤ 58.78
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-ethyl-1-[4-[10-[(4-phenylphenyl)methyl]anthracen-9-yl]phenyl]-4,5-dihydrobenzimidazole
CID 155420229
1-phenyl-2-pyridin-2-yl-4,5-dihydrobenzimidazole
CID 70894526
2-ethyl-1-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-4,5-dihydrobenzimidazole
CID 163531879
2-[4-[10-(4,4a-dihydronaphthalen-2-yl)-9-naphthalen-2-ylanthracen-2-yl]phenyl]-1-phenyl-4,5-dihydrobenzimidazole
CID 139514376
9,9-dimethyl-10-phenyl-2-[4-(2-phenyl-4,5-dihydrobenzimidazol-1-yl)phenyl]acridine
CID 71007192
1-[3-(3,5-diphenylphenyl)phenyl]-2-ethyl-4,5-dihydrobenzimidazole
CID 170020491
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
2-methyl-1-phenyl-6-[4-(10-phenyl-1,2-dihydroanthracen-9-yl)phenyl]benzimidazole
CID 129305926
2-[4-[10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]anthracen-9-yl]phenyl]-1-ethyl-4,5-dihydrobenzimidazole
CID 145383090
9-[4-(10-phenylanthracen-9-yl)phenyl]-1,2-dihydrocarbazole
CID 143437997
2-[3-(1-buta-1,3-dien-2-yl-4,5-dimethylimidazol-2-yl)-5-(1-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 145421665
9,10-bis(4-methylphenyl)anthracene;methane
CID 162058146

Frequently Asked Questions

What is the IUPAC name of 2-[10-(4-methylphenyl)anthracen-9-yl]-1-phenyl-4,5-dihydrobenzimidazole?
The IUPAC name of 2-[10-(4-methylphenyl)anthracen-9-yl]-1-phenyl-4,5-dihydrobenzimidazole (CID 89265105) is 2-[10-(4-methylphenyl)anthracen-9-yl]-1-phenyl-4,5-dihydrobenzimidazole.
What is the SMILES notation for 2-[10-(4-methylphenyl)anthracen-9-yl]-1-phenyl-4,5-dihydrobenzimidazole?
The canonical SMILES for 2-[10-(4-methylphenyl)anthracen-9-yl]-1-phenyl-4,5-dihydrobenzimidazole is Cc1ccc(-c2c3ccccc3c(-c3nc4c(n3-c3ccccc3)C=CCC4)c3ccccc23)cc1.
What is the InChIKey of 2-[10-(4-methylphenyl)anthracen-9-yl]-1-phenyl-4,5-dihydrobenzimidazole?
The InChIKey is ZILCEQDUSRUZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N2/c1-23-19-21-24(22-20-23)32-26-13-5-7-15-28(26)33(29-16-8-6-14-27(29)32)34-35-30-17-9-10-18-31(30)36(34)25-11-3-2-4-12-25/h2-8,10-16,18-22H,9,17H2,1H3.
What are the key properties of 2-[10-(4-methylphenyl)anthracen-9-yl]-1-phenyl-4,5-dihydrobenzimidazole?
2-[10-(4-methylphenyl)anthracen-9-yl]-1-phenyl-4,5-dihydrobenzimidazole has a molecular weight of 462.60 g/mol, XLogP of 8.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(4-methylphenyl)anthracen-9-yl]-1-phenyl-4,5-dihydrobenzimidazole is sourced from PubChem (CID 89265105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).