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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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).