1-(10-dibenzothiophen-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole

C41H28N2S — CID 170236506

IUPAC1-(10-dibenzothiophen-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1-c1c2ccccc2c(-c2cccc3sc4ccccc4c23)c2cc(-c3ccccc3)ccc12
InChIInChI=1S/C41H28N2S/c1-2-38-42-34-19-9-10-20-35(34)43(38)41-29-16-7-6-15-28(29)39(33-25-27(23-24-30(33)41)26-13-4-3-5-14-26)32-18-12-22-37-40(32)31-17-8-11-21-36(31)44-37/h3-25H,2H2,1H3
InChIKeySVDZNJLMRHCWFM-UHFFFAOYSA-N
MW580.76 g/mol
LogP11.60
Rot. Bonds4

About 1-(10-dibenzothiophen-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole

1-(10-dibenzothiophen-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole (PubChem CID 170236506) has the molecular formula C41H28N2S and a molecular weight of 580.76 g/mol. Its IUPAC name is 1-(10-dibenzothiophen-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole.

Molecular Properties

Compound Name1-(10-dibenzothiophen-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole
PubChem CID170236506
Molecular FormulaC41H28N2S
Molecular Weight580.76 g/mol
Exact Mass580.20
IUPAC Name1-(10-dibenzothiophen-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1-c1c2ccccc2c(-c2cccc3sc4ccccc4c23)c2cc(-c3ccccc3)ccc12
InChIInChI=1S/C41H28N2S/c1-2-38-42-34-19-9-10-20-35(34)43(38)41-29-16-7-6-15-28(29)39(33-25-27(23-24-30(33)41)26-13-4-3-5-14-26)32-18-12-22-37-40(32)31-17-8-11-21-36(31)44-37/h3-25H,2H2,1H3
InChIKeySVDZNJLMRHCWFM-UHFFFAOYSA-N
XLogP11.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.76
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1-(10-dibenzothiophen-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole
CID 170236505
1-[4-[4-[10-dibenzothiophen-1-yl-3-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]phenyl]-2-ethylbenzimidazole
CID 169070702
1-[3-(10-dibenzothiophen-1-yl-3-phenylanthracen-9-yl)phenyl]-2-methylbenzimidazole
CID 170236586
CID 174120506
CID 174120506
2-ethyl-1-[4-(10-phenanthren-4-yl-2-phenylanthracen-9-yl)phenyl]benzimidazole
CID 166042890
1-[10-dibenzothiophen-1-yl-3-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-2-(trideuteriomethyl)benzimidazole
CID 169072085
2-ethyl-1-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]benzimidazole
CID 166043047
2-ethyl-1-[4-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]phenyl]benzimidazole
CID 166043163
2-ethyl-1-[4-[10-phenyl-2-(3-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166043045
2-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole
CID 155788451
1-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)naphthalen-1-yl]-2-ethylbenzimidazole
CID 170236605
CID 174120001
CID 174120001

Frequently Asked Questions

What is the IUPAC name of 1-(10-dibenzothiophen-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole?
The IUPAC name of 1-(10-dibenzothiophen-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole (CID 170236506) is 1-(10-dibenzothiophen-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole.
What is the SMILES notation for 1-(10-dibenzothiophen-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole?
The canonical SMILES for 1-(10-dibenzothiophen-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole is CCc1nc2ccccc2n1-c1c2ccccc2c(-c2cccc3sc4ccccc4c23)c2cc(-c3ccccc3)ccc12.
What is the InChIKey of 1-(10-dibenzothiophen-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole?
The InChIKey is SVDZNJLMRHCWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2S/c1-2-38-42-34-19-9-10-20-35(34)43(38)41-29-16-7-6-15-28(29)39(33-25-27(23-24-30(33)41)26-13-4-3-5-14-26)32-18-12-22-37-40(32)31-17-8-11-21-36(31)44-37/h3-25H,2H2,1H3.
What are the key properties of 1-(10-dibenzothiophen-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole?
1-(10-dibenzothiophen-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole has a molecular weight of 580.76 g/mol, XLogP of 11.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-dibenzothiophen-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole is sourced from PubChem (CID 170236506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).