9-[4-[1-(2,4-diphenyl-6-propan-2-yl-3-pyridinyl)imidazol-2-yl]phenyl]-3-thiophen-2-ylcarbazole

C45H34N4S — CID 140800085

IUPAC9-[4-[1-(2,4-diphenyl-6-propan-2-yl-3-pyridinyl)imidazol-2-yl]phenyl]-3-thiophen-2-ylcarbazole
SMILESCC(C)c1cc(-c2ccccc2)c(-n2ccnc2-c2ccc(-n3c4ccccc4c4cc(-c5cccs5)ccc43)cc2)c(-c2ccccc2)n1
InChIInChI=1S/C45H34N4S/c1-30(2)39-29-37(31-12-5-3-6-13-31)44(43(47-39)32-14-7-4-8-15-32)48-26-25-46-45(48)33-19-22-35(23-20-33)49-40-17-10-9-16-36(40)38-28-34(21-24-41(38)49)42-18-11-27-50-42/h3-30H,1-2H3
InChIKeySOMLKPUHLIWCNV-UHFFFAOYSA-N
MW662.86 g/mol
LogP12.22
Rot. Bonds7

About 9-[4-[1-(2,4-diphenyl-6-propan-2-yl-3-pyridinyl)imidazol-2-yl]phenyl]-3-thiophen-2-ylcarbazole

9-[4-[1-(2,4-diphenyl-6-propan-2-yl-3-pyridinyl)imidazol-2-yl]phenyl]-3-thiophen-2-ylcarbazole (PubChem CID 140800085) has the molecular formula C45H34N4S and a molecular weight of 662.86 g/mol. Its IUPAC name is 9-[4-[1-(2,4-diphenyl-6-propan-2-yl-3-pyridinyl)imidazol-2-yl]phenyl]-3-thiophen-2-ylcarbazole.

Molecular Properties

Compound Name9-[4-[1-(2,4-diphenyl-6-propan-2-yl-3-pyridinyl)imidazol-2-yl]phenyl]-3-thiophen-2-ylcarbazole
PubChem CID140800085
Molecular FormulaC45H34N4S
Molecular Weight662.86 g/mol
Exact Mass662.25
IUPAC Name9-[4-[1-(2,4-diphenyl-6-propan-2-yl-3-pyridinyl)imidazol-2-yl]phenyl]-3-thiophen-2-ylcarbazole
SMILESCC(C)c1cc(-c2ccccc2)c(-n2ccnc2-c2ccc(-n3c4ccccc4c4cc(-c5cccs5)ccc43)cc2)c(-c2ccccc2)n1
InChIInChI=1S/C45H34N4S/c1-30(2)39-29-37(31-12-5-3-6-13-31)44(43(47-39)32-14-7-4-8-15-32)48-26-25-46-45(48)33-19-22-35(23-20-33)49-40-17-10-9-16-36(40)38-28-34(21-24-41(38)49)42-18-11-27-50-42/h3-30H,1-2H3
InChIKeySOMLKPUHLIWCNV-UHFFFAOYSA-N
XLogP12.22
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.86
LogP ≤ 512.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-[1-(2,4,6-triphenylphenyl)imidazol-2-yl]phenyl]carbazole
CID 140799910
9-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]phenyl]carbazole
CID 140800046
9-[4-(1-phenylimidazol-2-yl)phenyl]carbazole
CID 140800069
6-[4-(2-phenylimidazol-1-yl)phenyl]thieno[3,2-c]carbazole
CID 118227962
9-[4-[1-(4,6-diphenylpyrimidin-2-yl)imidazol-2-yl]phenyl]carbazole
CID 90181035
9-[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenyl]-2,4-diphenylcarbazole
CID 140799994
9-[6-[3-(9H-fluoren-3-yl)-2,4,6-trimethyl-5-(2-phenylimidazol-1-yl)phenyl]-9H-fluoren-3-yl]carbazole
CID 144541469
9-[3-carbazol-9-yl-5-[8-[2,4-dimethyl-3-(2-phenylimidazol-1-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 71278024
5-phenyl-8-[2,4,6-trimethyl-3-(2-phenylimidazol-1-yl)phenyl]pyrido[3,2-b]indole
CID 140820363
3-(1-dibenzofuran-1-ylimidazol-2-yl)-9-phenylcarbazole
CID 58947252
3-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404981
1-[2,6-di(propan-2-yl)-4-triphenylen-2-ylphenyl]-2-phenylimidazole
CID 140866253

Frequently Asked Questions

What is the IUPAC name of 9-[4-[1-(2,4-diphenyl-6-propan-2-yl-3-pyridinyl)imidazol-2-yl]phenyl]-3-thiophen-2-ylcarbazole?
The IUPAC name of 9-[4-[1-(2,4-diphenyl-6-propan-2-yl-3-pyridinyl)imidazol-2-yl]phenyl]-3-thiophen-2-ylcarbazole (CID 140800085) is 9-[4-[1-(2,4-diphenyl-6-propan-2-yl-3-pyridinyl)imidazol-2-yl]phenyl]-3-thiophen-2-ylcarbazole.
What is the SMILES notation for 9-[4-[1-(2,4-diphenyl-6-propan-2-yl-3-pyridinyl)imidazol-2-yl]phenyl]-3-thiophen-2-ylcarbazole?
The canonical SMILES for 9-[4-[1-(2,4-diphenyl-6-propan-2-yl-3-pyridinyl)imidazol-2-yl]phenyl]-3-thiophen-2-ylcarbazole is CC(C)c1cc(-c2ccccc2)c(-n2ccnc2-c2ccc(-n3c4ccccc4c4cc(-c5cccs5)ccc43)cc2)c(-c2ccccc2)n1.
What is the InChIKey of 9-[4-[1-(2,4-diphenyl-6-propan-2-yl-3-pyridinyl)imidazol-2-yl]phenyl]-3-thiophen-2-ylcarbazole?
The InChIKey is SOMLKPUHLIWCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34N4S/c1-30(2)39-29-37(31-12-5-3-6-13-31)44(43(47-39)32-14-7-4-8-15-32)48-26-25-46-45(48)33-19-22-35(23-20-33)49-40-17-10-9-16-36(40)38-28-34(21-24-41(38)49)42-18-11-27-50-42/h3-30H,1-2H3.
What are the key properties of 9-[4-[1-(2,4-diphenyl-6-propan-2-yl-3-pyridinyl)imidazol-2-yl]phenyl]-3-thiophen-2-ylcarbazole?
9-[4-[1-(2,4-diphenyl-6-propan-2-yl-3-pyridinyl)imidazol-2-yl]phenyl]-3-thiophen-2-ylcarbazole has a molecular weight of 662.86 g/mol, XLogP of 12.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[1-(2,4-diphenyl-6-propan-2-yl-3-pyridinyl)imidazol-2-yl]phenyl]-3-thiophen-2-ylcarbazole is sourced from PubChem (CID 140800085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).