5-(9,10-diphenylanthracen-2-yl)-1,2-dimethylbenzimidazole

C35H26N2 — CID 58953715

IUPAC5-(9,10-diphenylanthracen-2-yl)-1,2-dimethylbenzimidazole
SMILESCc1nc2cc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)ccc2n1C
InChIInChI=1S/C35H26N2/c1-23-36-32-22-27(18-20-33(32)37(23)2)26-17-19-30-31(21-26)35(25-13-7-4-8-14-25)29-16-10-9-15-28(29)34(30)24-11-5-3-6-12-24/h3-22H,1-2H3
InChIKeyMLSKSLLJLDBSAC-UHFFFAOYSA-N
MW474.61 g/mol
LogP9.19
Rot. Bonds3

About 5-(9,10-diphenylanthracen-2-yl)-1,2-dimethylbenzimidazole

5-(9,10-diphenylanthracen-2-yl)-1,2-dimethylbenzimidazole (PubChem CID 58953715) has the molecular formula C35H26N2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 5-(9,10-diphenylanthracen-2-yl)-1,2-dimethylbenzimidazole.

Molecular Properties

Compound Name5-(9,10-diphenylanthracen-2-yl)-1,2-dimethylbenzimidazole
PubChem CID58953715
Molecular FormulaC35H26N2
Molecular Weight474.61 g/mol
Exact Mass474.21
IUPAC Name5-(9,10-diphenylanthracen-2-yl)-1,2-dimethylbenzimidazole
SMILESCc1nc2cc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)ccc2n1C
InChIInChI=1S/C35H26N2/c1-23-36-32-22-27(18-20-33(32)37(23)2)26-17-19-30-31(21-26)35(25-13-7-4-8-14-25)29-16-10-9-15-28(29)34(30)24-11-5-3-6-12-24/h3-22H,1-2H3
InChIKeyMLSKSLLJLDBSAC-UHFFFAOYSA-N
XLogP9.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 59.19
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

5-[4-[6-[4-(1,2-dimethylbenzimidazol-5-yl)phenyl]-9,10-diphenylanthracen-2-yl]phenyl]-1,2-dimethylbenzimidazole
CID 58953632
2-methyl-5-[6-(2-methyl-1-phenylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]-1-phenylbenzimidazole
CID 58953669
5-(9,10-diphenylanthracen-2-yl)-1-iodo-2-phenylbenzimidazole
CID 89014121
5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-ethyl-2-phenylbenzimidazole
CID 58953640
1-butyl-5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953743
6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-phenylanthracen-1-yl]-1,2-dimethylbenzimidazole
CID 155333921
2-(9,10-diphenylanthracen-2-yl)-6-methylbenzimidazolo[1,2-c]quinazoline
CID 129257054
1-(9,10-diphenylanthracen-2-yl)-2,5-diphenylbenzimidazole
CID 58953775
[4-[10-[2-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-triphenyl-λ4-sulfane
CID 146419066
2-methyl-1-[4-[10-[3-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 59408445
5-[4-[6-[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]-9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1,2-diphenylbenzimidazole
CID 58953757
1-[2-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylbenzimidazole
CID 170235690

Frequently Asked Questions

What is the IUPAC name of 5-(9,10-diphenylanthracen-2-yl)-1,2-dimethylbenzimidazole?
The IUPAC name of 5-(9,10-diphenylanthracen-2-yl)-1,2-dimethylbenzimidazole (CID 58953715) is 5-(9,10-diphenylanthracen-2-yl)-1,2-dimethylbenzimidazole.
What is the SMILES notation for 5-(9,10-diphenylanthracen-2-yl)-1,2-dimethylbenzimidazole?
The canonical SMILES for 5-(9,10-diphenylanthracen-2-yl)-1,2-dimethylbenzimidazole is Cc1nc2cc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)ccc2n1C.
What is the InChIKey of 5-(9,10-diphenylanthracen-2-yl)-1,2-dimethylbenzimidazole?
The InChIKey is MLSKSLLJLDBSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N2/c1-23-36-32-22-27(18-20-33(32)37(23)2)26-17-19-30-31(21-26)35(25-13-7-4-8-14-25)29-16-10-9-15-28(29)34(30)24-11-5-3-6-12-24/h3-22H,1-2H3.
What are the key properties of 5-(9,10-diphenylanthracen-2-yl)-1,2-dimethylbenzimidazole?
5-(9,10-diphenylanthracen-2-yl)-1,2-dimethylbenzimidazole has a molecular weight of 474.61 g/mol, XLogP of 9.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,10-diphenylanthracen-2-yl)-1,2-dimethylbenzimidazole is sourced from PubChem (CID 58953715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).