6-[4-(2-phenylimidazol-1-yl)phenyl]thieno[3,2-c]carbazole

C29H19N3S — CID 118227962

IUPAC6-[4-(2-phenylimidazol-1-yl)phenyl]thieno[3,2-c]carbazole
SMILESc1ccc(-c2nccn2-c2ccc(-n3c4ccccc4c4c5sccc5ccc43)cc2)cc1
InChIInChI=1S/C29H19N3S/c1-2-6-21(7-3-1)29-30-17-18-31(29)22-11-13-23(14-12-22)32-25-9-5-4-8-24(25)27-26(32)15-10-20-16-19-33-28(20)27/h1-19H
InChIKeyNFENSILPNUHGOM-UHFFFAOYSA-N
MW441.56 g/mol
LogP7.85
Rot. Bonds3

About 6-[4-(2-phenylimidazol-1-yl)phenyl]thieno[3,2-c]carbazole

6-[4-(2-phenylimidazol-1-yl)phenyl]thieno[3,2-c]carbazole (PubChem CID 118227962) has the molecular formula C29H19N3S and a molecular weight of 441.56 g/mol. Its IUPAC name is 6-[4-(2-phenylimidazol-1-yl)phenyl]thieno[3,2-c]carbazole.

Molecular Properties

Compound Name6-[4-(2-phenylimidazol-1-yl)phenyl]thieno[3,2-c]carbazole
PubChem CID118227962
Molecular FormulaC29H19N3S
Molecular Weight441.56 g/mol
Exact Mass441.13
IUPAC Name6-[4-(2-phenylimidazol-1-yl)phenyl]thieno[3,2-c]carbazole
SMILESc1ccc(-c2nccn2-c2ccc(-n3c4ccccc4c4c5sccc5ccc43)cc2)cc1
InChIInChI=1S/C29H19N3S/c1-2-6-21(7-3-1)29-30-17-18-31(29)22-11-13-23(14-12-22)32-25-9-5-4-8-24(25)27-26(32)15-10-20-16-19-33-28(20)27/h1-19H
InChIKeyNFENSILPNUHGOM-UHFFFAOYSA-N
XLogP7.85
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.56
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]thieno[3,2-c]carbazole
CID 135264413
9-[4-(1-phenylimidazol-2-yl)phenyl]carbazole
CID 140800069
6-(4-triphenylen-2-ylphenyl)thieno[3,2-c]carbazole
CID 123633053
6-(6-pyridin-2-yl-3-pyridinyl)thieno[3,2-c]carbazole
CID 123165262
6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]thieno[3,2-c]carbazole
CID 118228677
6-[3-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole
CID 118229434
9-[4-[1-(4,6-diphenylpyrimidin-2-yl)imidazol-2-yl]phenyl]carbazole
CID 90181035
6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]thieno[3,2-c]carbazole
CID 118229357
6-quinolin-5-ylthieno[3,2-c]carbazole
CID 118228164
6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]thieno[3,2-c]carbazole
CID 118229376
9-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]phenyl]carbazole
CID 140800046
9-[4-[1-(2,4,6-triphenylphenyl)imidazol-2-yl]phenyl]carbazole
CID 140799910

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-phenylimidazol-1-yl)phenyl]thieno[3,2-c]carbazole?
The IUPAC name of 6-[4-(2-phenylimidazol-1-yl)phenyl]thieno[3,2-c]carbazole (CID 118227962) is 6-[4-(2-phenylimidazol-1-yl)phenyl]thieno[3,2-c]carbazole.
What is the SMILES notation for 6-[4-(2-phenylimidazol-1-yl)phenyl]thieno[3,2-c]carbazole?
The canonical SMILES for 6-[4-(2-phenylimidazol-1-yl)phenyl]thieno[3,2-c]carbazole is c1ccc(-c2nccn2-c2ccc(-n3c4ccccc4c4c5sccc5ccc43)cc2)cc1.
What is the InChIKey of 6-[4-(2-phenylimidazol-1-yl)phenyl]thieno[3,2-c]carbazole?
The InChIKey is NFENSILPNUHGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N3S/c1-2-6-21(7-3-1)29-30-17-18-31(29)22-11-13-23(14-12-22)32-25-9-5-4-8-24(25)27-26(32)15-10-20-16-19-33-28(20)27/h1-19H.
What are the key properties of 6-[4-(2-phenylimidazol-1-yl)phenyl]thieno[3,2-c]carbazole?
6-[4-(2-phenylimidazol-1-yl)phenyl]thieno[3,2-c]carbazole has a molecular weight of 441.56 g/mol, XLogP of 7.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-phenylimidazol-1-yl)phenyl]thieno[3,2-c]carbazole is sourced from PubChem (CID 118227962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).