2-tert-butyl-1-[4-(2,10-diphenylanthracen-9-yl)phenyl]benzimidazole

C43H34N2 — CID 166043099

IUPAC2-tert-butyl-1-[4-(2,10-diphenylanthracen-9-yl)phenyl]benzimidazole
SMILESCC(C)(C)c1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C43H34N2/c1-43(2,3)42-44-38-20-12-13-21-39(38)45(42)33-25-22-31(23-26-33)41-35-19-11-10-18-34(35)40(30-16-8-5-9-17-30)36-27-24-32(28-37(36)41)29-14-6-4-7-15-29/h4-28H,1-3H3
InChIKeyOJYJFMHCERILMF-UHFFFAOYSA-N
MW578.76 g/mol
LogP11.63
Rot. Bonds4

About 2-tert-butyl-1-[4-(2,10-diphenylanthracen-9-yl)phenyl]benzimidazole

2-tert-butyl-1-[4-(2,10-diphenylanthracen-9-yl)phenyl]benzimidazole (PubChem CID 166043099) has the molecular formula C43H34N2 and a molecular weight of 578.76 g/mol. Its IUPAC name is 2-tert-butyl-1-[4-(2,10-diphenylanthracen-9-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name2-tert-butyl-1-[4-(2,10-diphenylanthracen-9-yl)phenyl]benzimidazole
PubChem CID166043099
Molecular FormulaC43H34N2
Molecular Weight578.76 g/mol
Exact Mass578.27
IUPAC Name2-tert-butyl-1-[4-(2,10-diphenylanthracen-9-yl)phenyl]benzimidazole
SMILESCC(C)(C)c1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C43H34N2/c1-43(2,3)42-44-38-20-12-13-21-39(38)45(42)33-25-22-31(23-26-33)41-35-19-11-10-18-34(35)40(30-16-8-5-9-17-30)36-27-24-32(28-37(36)41)29-14-6-4-7-15-29/h4-28H,1-3H3
InChIKeyOJYJFMHCERILMF-UHFFFAOYSA-N
XLogP11.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.76
LogP ≤ 511.63
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

1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
1-[4-(2,10-diphenylanthracen-9-yl)phenyl]-2-[(2E,4Z)-hexa-2,4-dien-3-yl]benzimidazole
CID 129306673
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
2-ethyl-1-[4-[10-phenyl-2-(3-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166043045
2-ethyl-1-[4-(3-phenyl-10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 166042892
2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 87412320
2-methyl-1-[4-[10-[3-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 59408445
1-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 58898414
9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58963473
2-(2,12-diphenyltetracen-5-yl)-1-phenylbenzimidazole
CID 168827448
CID 174117794
CID 174117794
1-[4-(9,10-diphenyl-6-propan-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953696

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[4-(2,10-diphenylanthracen-9-yl)phenyl]benzimidazole?
The IUPAC name of 2-tert-butyl-1-[4-(2,10-diphenylanthracen-9-yl)phenyl]benzimidazole (CID 166043099) is 2-tert-butyl-1-[4-(2,10-diphenylanthracen-9-yl)phenyl]benzimidazole.
What is the SMILES notation for 2-tert-butyl-1-[4-(2,10-diphenylanthracen-9-yl)phenyl]benzimidazole?
The canonical SMILES for 2-tert-butyl-1-[4-(2,10-diphenylanthracen-9-yl)phenyl]benzimidazole is CC(C)(C)c1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4ccccc4)cc23)cc1.
What is the InChIKey of 2-tert-butyl-1-[4-(2,10-diphenylanthracen-9-yl)phenyl]benzimidazole?
The InChIKey is OJYJFMHCERILMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N2/c1-43(2,3)42-44-38-20-12-13-21-39(38)45(42)33-25-22-31(23-26-33)41-35-19-11-10-18-34(35)40(30-16-8-5-9-17-30)36-27-24-32(28-37(36)41)29-14-6-4-7-15-29/h4-28H,1-3H3.
What are the key properties of 2-tert-butyl-1-[4-(2,10-diphenylanthracen-9-yl)phenyl]benzimidazole?
2-tert-butyl-1-[4-(2,10-diphenylanthracen-9-yl)phenyl]benzimidazole has a molecular weight of 578.76 g/mol, XLogP of 11.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[4-(2,10-diphenylanthracen-9-yl)phenyl]benzimidazole is sourced from PubChem (CID 166043099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).