2-(4-dibenzothiophen-4-yl-2-ethylphenyl)-1-phenylbenzimidazole

C33H24N2S — CID 58309530

IUPAC2-(4-dibenzothiophen-4-yl-2-ethylphenyl)-1-phenylbenzimidazole
SMILESCCc1cc(-c2cccc3c2sc2ccccc23)ccc1-c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C33H24N2S/c1-2-22-21-23(25-14-10-15-28-27-13-6-9-18-31(27)36-32(25)28)19-20-26(22)33-34-29-16-7-8-17-30(29)35(33)24-11-4-3-5-12-24/h3-21H,2H2,1H3
InChIKeyDGKJFNNLTUXDCG-UHFFFAOYSA-N
MW480.64 g/mol
LogP9.29
Rot. Bonds4

About 2-(4-dibenzothiophen-4-yl-2-ethylphenyl)-1-phenylbenzimidazole

2-(4-dibenzothiophen-4-yl-2-ethylphenyl)-1-phenylbenzimidazole (PubChem CID 58309530) has the molecular formula C33H24N2S and a molecular weight of 480.64 g/mol. Its IUPAC name is 2-(4-dibenzothiophen-4-yl-2-ethylphenyl)-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-(4-dibenzothiophen-4-yl-2-ethylphenyl)-1-phenylbenzimidazole
PubChem CID58309530
Molecular FormulaC33H24N2S
Molecular Weight480.64 g/mol
Exact Mass480.17
IUPAC Name2-(4-dibenzothiophen-4-yl-2-ethylphenyl)-1-phenylbenzimidazole
SMILESCCc1cc(-c2cccc3c2sc2ccccc23)ccc1-c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C33H24N2S/c1-2-22-21-23(25-14-10-15-28-27-13-6-9-18-31(27)36-32(25)28)19-20-26(22)33-34-29-16-7-8-17-30(29)35(33)24-11-4-3-5-12-24/h3-21H,2H2,1H3
InChIKeyDGKJFNNLTUXDCG-UHFFFAOYSA-N
XLogP9.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.64
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[6-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1-phenylbenzimidazole
CID 155356641
2-naphtho[2,3-b][1]benzothiol-4-yl-1-phenylbenzimidazole
CID 170532031
3-dibenzothiophen-4-yl-9-[3-[1-(2-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole
CID 67816856
4-(3-dibenzothiophen-4-ylphenyl)-5,5-dimethyl-2-[3-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine
CID 118100245
2-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-1-phenylbenzimidazole
CID 152829273
6-[3,5-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-4-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 159111019
3-dibenzothiophen-4-yl-9-[3-(1,7-diphenylbenzimidazol-2-yl)phenyl]carbazole
CID 67818577
2-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-1-phenylbenzimidazole
CID 147878529
2-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1-phenylbenzimidazole
CID 146917038
14-[4-[3-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-(2-ethylbenzimidazol-1-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 161026372
1-phenyl-2-[9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-4-yl]benzimidazole
CID 147237634
1-(2-tert-butyl-6-phenylphenyl)-2-dibenzothiophen-4-ylbenzimidazole
CID 156657290

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzothiophen-4-yl-2-ethylphenyl)-1-phenylbenzimidazole?
The IUPAC name of 2-(4-dibenzothiophen-4-yl-2-ethylphenyl)-1-phenylbenzimidazole (CID 58309530) is 2-(4-dibenzothiophen-4-yl-2-ethylphenyl)-1-phenylbenzimidazole.
What is the SMILES notation for 2-(4-dibenzothiophen-4-yl-2-ethylphenyl)-1-phenylbenzimidazole?
The canonical SMILES for 2-(4-dibenzothiophen-4-yl-2-ethylphenyl)-1-phenylbenzimidazole is CCc1cc(-c2cccc3c2sc2ccccc23)ccc1-c1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of 2-(4-dibenzothiophen-4-yl-2-ethylphenyl)-1-phenylbenzimidazole?
The InChIKey is DGKJFNNLTUXDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N2S/c1-2-22-21-23(25-14-10-15-28-27-13-6-9-18-31(27)36-32(25)28)19-20-26(22)33-34-29-16-7-8-17-30(29)35(33)24-11-4-3-5-12-24/h3-21H,2H2,1H3.
What are the key properties of 2-(4-dibenzothiophen-4-yl-2-ethylphenyl)-1-phenylbenzimidazole?
2-(4-dibenzothiophen-4-yl-2-ethylphenyl)-1-phenylbenzimidazole has a molecular weight of 480.64 g/mol, XLogP of 9.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzothiophen-4-yl-2-ethylphenyl)-1-phenylbenzimidazole is sourced from PubChem (CID 58309530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).