1-ethyl-2-(6,9,10-triphenylanthracen-2-yl)benzimidazole

C41H30N2 — CID 129257085

IUPAC1-ethyl-2-(6,9,10-triphenylanthracen-2-yl)benzimidazole
SMILESCCn1c(-c2ccc3c(-c4ccccc4)c4cc(-c5ccccc5)ccc4c(-c4ccccc4)c3c2)nc2ccccc21
InChIInChI=1S/C41H30N2/c1-2-43-38-21-13-12-20-37(38)42-41(43)32-23-25-34-36(27-32)40(30-18-10-5-11-19-30)33-24-22-31(28-14-6-3-7-15-28)26-35(33)39(34)29-16-8-4-9-17-29/h3-27H,2H2,1H3
InChIKeyACZQGJNDFNTREN-UHFFFAOYSA-N
MW550.71 g/mol
LogP11.03
Rot. Bonds5

About 1-ethyl-2-(6,9,10-triphenylanthracen-2-yl)benzimidazole

1-ethyl-2-(6,9,10-triphenylanthracen-2-yl)benzimidazole (PubChem CID 129257085) has the molecular formula C41H30N2 and a molecular weight of 550.71 g/mol. Its IUPAC name is 1-ethyl-2-(6,9,10-triphenylanthracen-2-yl)benzimidazole.

Molecular Properties

Compound Name1-ethyl-2-(6,9,10-triphenylanthracen-2-yl)benzimidazole
PubChem CID129257085
Molecular FormulaC41H30N2
Molecular Weight550.71 g/mol
Exact Mass550.24
IUPAC Name1-ethyl-2-(6,9,10-triphenylanthracen-2-yl)benzimidazole
SMILESCCn1c(-c2ccc3c(-c4ccccc4)c4cc(-c5ccccc5)ccc4c(-c4ccccc4)c3c2)nc2ccccc21
InChIInChI=1S/C41H30N2/c1-2-43-38-21-13-12-20-37(38)42-41(43)32-23-25-34-36(27-32)40(30-18-10-5-11-19-30)33-24-22-31(28-14-6-3-7-15-28)26-35(33)39(34)29-16-8-4-9-17-29/h3-27H,2H2,1H3
InChIKeyACZQGJNDFNTREN-UHFFFAOYSA-N
XLogP11.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.71
LogP ≤ 511.03
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-ethyl-2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 171405751
5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-ethyl-2-phenylbenzimidazole
CID 58953640
1-ethyl-2-phenyl-5-[4-[10-[2-(4-phenylphenyl)phenyl]-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]anthracen-2-yl]phenyl]benzimidazole
CID 58389750
1-butyl-5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953743
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
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
9-ethyl-3-[4-[10-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-6-(4-phenylphenyl)carbazole;9-ethyl-3-[4-[4-[10-[4-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-6-(4-phenylphenyl)carbazole
CID 158925284
3-[4-[4-[2,6-bis(3-methylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-ethylcarbazole;3-[4-(2,3-dimethyl-10-phenylanthracen-9-yl)phenyl]-9-ethylcarbazole
CID 160737474
2-ethyl-1-[4-(3-phenyl-10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 166042892
2-(2,12-diphenyltetracen-5-yl)-1-phenylbenzimidazole
CID 168827448
1-ethyl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole
CID 156659698

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(6,9,10-triphenylanthracen-2-yl)benzimidazole?
The IUPAC name of 1-ethyl-2-(6,9,10-triphenylanthracen-2-yl)benzimidazole (CID 129257085) is 1-ethyl-2-(6,9,10-triphenylanthracen-2-yl)benzimidazole.
What is the SMILES notation for 1-ethyl-2-(6,9,10-triphenylanthracen-2-yl)benzimidazole?
The canonical SMILES for 1-ethyl-2-(6,9,10-triphenylanthracen-2-yl)benzimidazole is CCn1c(-c2ccc3c(-c4ccccc4)c4cc(-c5ccccc5)ccc4c(-c4ccccc4)c3c2)nc2ccccc21.
What is the InChIKey of 1-ethyl-2-(6,9,10-triphenylanthracen-2-yl)benzimidazole?
The InChIKey is ACZQGJNDFNTREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N2/c1-2-43-38-21-13-12-20-37(38)42-41(43)32-23-25-34-36(27-32)40(30-18-10-5-11-19-30)33-24-22-31(28-14-6-3-7-15-28)26-35(33)39(34)29-16-8-4-9-17-29/h3-27H,2H2,1H3.
What are the key properties of 1-ethyl-2-(6,9,10-triphenylanthracen-2-yl)benzimidazole?
1-ethyl-2-(6,9,10-triphenylanthracen-2-yl)benzimidazole has a molecular weight of 550.71 g/mol, XLogP of 11.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(6,9,10-triphenylanthracen-2-yl)benzimidazole is sourced from PubChem (CID 129257085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).