9-[4-(1-phenylbenzimidazol-2-yl)phenyl]thieno[3,2-b]carbazole

C33H21N3S — CID 123904133

IUPAC9-[4-(1-phenylbenzimidazol-2-yl)phenyl]thieno[3,2-b]carbazole
SMILESc1ccc(-n2c(-c3ccc(-n4c5ccccc5c5cc6sccc6cc54)cc3)nc3ccccc32)cc1
InChIInChI=1S/C33H21N3S/c1-2-8-24(9-3-1)36-30-13-7-5-11-28(30)34-33(36)22-14-16-25(17-15-22)35-29-12-6-4-10-26(29)27-21-32-23(18-19-37-32)20-31(27)35/h1-21H
InChIKeyCIJSOBYMWUMIDV-UHFFFAOYSA-N
MW491.62 g/mol
LogP9.00
Rot. Bonds3

About 9-[4-(1-phenylbenzimidazol-2-yl)phenyl]thieno[3,2-b]carbazole

9-[4-(1-phenylbenzimidazol-2-yl)phenyl]thieno[3,2-b]carbazole (PubChem CID 123904133) has the molecular formula C33H21N3S and a molecular weight of 491.62 g/mol. Its IUPAC name is 9-[4-(1-phenylbenzimidazol-2-yl)phenyl]thieno[3,2-b]carbazole.

Molecular Properties

Compound Name9-[4-(1-phenylbenzimidazol-2-yl)phenyl]thieno[3,2-b]carbazole
PubChem CID123904133
Molecular FormulaC33H21N3S
Molecular Weight491.62 g/mol
Exact Mass491.15
IUPAC Name9-[4-(1-phenylbenzimidazol-2-yl)phenyl]thieno[3,2-b]carbazole
SMILESc1ccc(-n2c(-c3ccc(-n4c5ccccc5c5cc6sccc6cc54)cc3)nc3ccccc32)cc1
InChIInChI=1S/C33H21N3S/c1-2-8-24(9-3-1)36-30-13-7-5-11-28(30)34-33(36)22-14-16-25(17-15-22)35-29-12-6-4-10-26(29)27-21-32-23(18-19-37-32)20-31(27)35/h1-21H
InChIKeyCIJSOBYMWUMIDV-UHFFFAOYSA-N
XLogP9.00
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.62
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
9-[4-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500868
10,20-diphenyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-10,14,20-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,21-decaene
CID 90267592
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 121307195
3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 123380544
2-carbazol-9-yl-9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 144777561
9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole
CID 169294130
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
N,9-diphenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
CID 59500875
11-phenyl-12-[4-(2-phenylbenzimidazol-1-yl)phenyl]indolo[2,3-a]carbazole
CID 90324561
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118149535
9-[4-[6-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole
CID 58500865

Frequently Asked Questions

What is the IUPAC name of 9-[4-(1-phenylbenzimidazol-2-yl)phenyl]thieno[3,2-b]carbazole?
The IUPAC name of 9-[4-(1-phenylbenzimidazol-2-yl)phenyl]thieno[3,2-b]carbazole (CID 123904133) is 9-[4-(1-phenylbenzimidazol-2-yl)phenyl]thieno[3,2-b]carbazole.
What is the SMILES notation for 9-[4-(1-phenylbenzimidazol-2-yl)phenyl]thieno[3,2-b]carbazole?
The canonical SMILES for 9-[4-(1-phenylbenzimidazol-2-yl)phenyl]thieno[3,2-b]carbazole is c1ccc(-n2c(-c3ccc(-n4c5ccccc5c5cc6sccc6cc54)cc3)nc3ccccc32)cc1.
What is the InChIKey of 9-[4-(1-phenylbenzimidazol-2-yl)phenyl]thieno[3,2-b]carbazole?
The InChIKey is CIJSOBYMWUMIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N3S/c1-2-8-24(9-3-1)36-30-13-7-5-11-28(30)34-33(36)22-14-16-25(17-15-22)35-29-12-6-4-10-26(29)27-21-32-23(18-19-37-32)20-31(27)35/h1-21H.
What are the key properties of 9-[4-(1-phenylbenzimidazol-2-yl)phenyl]thieno[3,2-b]carbazole?
9-[4-(1-phenylbenzimidazol-2-yl)phenyl]thieno[3,2-b]carbazole has a molecular weight of 491.62 g/mol, XLogP of 9.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(1-phenylbenzimidazol-2-yl)phenyl]thieno[3,2-b]carbazole is sourced from PubChem (CID 123904133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).