9-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]phenyl]carbazole

C32H29N3 — CID 140800046

IUPAC9-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]phenyl]carbazole
SMILESCc1c(C)c(C)c(-n2ccnc2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(C)c1C
InChIInChI=1S/C32H29N3/c1-20-21(2)23(4)31(24(5)22(20)3)34-19-18-33-32(34)25-14-16-26(17-15-25)35-29-12-8-6-10-27(29)28-11-7-9-13-30(28)35/h6-19H,1-5H3
InChIKeyZHRQXEOKSSGRJK-UHFFFAOYSA-N
MW455.61 g/mol
LogP8.18
Rot. Bonds3

About 9-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]phenyl]carbazole

9-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]phenyl]carbazole (PubChem CID 140800046) has the molecular formula C32H29N3 and a molecular weight of 455.61 g/mol. Its IUPAC name is 9-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]phenyl]carbazole
PubChem CID140800046
Molecular FormulaC32H29N3
Molecular Weight455.61 g/mol
Exact Mass455.24
IUPAC Name9-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]phenyl]carbazole
SMILESCc1c(C)c(C)c(-n2ccnc2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(C)c1C
InChIInChI=1S/C32H29N3/c1-20-21(2)23(4)31(24(5)22(20)3)34-19-18-33-32(34)25-14-16-26(17-15-25)35-29-12-8-6-10-27(29)28-11-7-9-13-30(28)35/h6-19H,1-5H3
InChIKeyZHRQXEOKSSGRJK-UHFFFAOYSA-N
XLogP8.18
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.61
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-(1-phenylimidazol-2-yl)phenyl]carbazole
CID 140800069
9-[4-[1-(2,4,6-triphenylphenyl)imidazol-2-yl]phenyl]carbazole
CID 140799910
9-[4-[1-(4,6-diphenylpyrimidin-2-yl)imidazol-2-yl]phenyl]carbazole
CID 90181035
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-[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenyl]-2,4-diphenylcarbazole
CID 140799994
9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole
CID 58939501
5-phenyl-8-[2,4,6-trimethyl-3-(2-phenylimidazol-1-yl)phenyl]pyrido[3,2-b]indole
CID 140820363
iridium;9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide
CID 59171953
9-[4-(1-cyclohexylimidazol-2-yl)phenyl]carbazole
CID 140799922
9-[6-(2-phenylimidazol-1-yl)-9H-fluoren-3-yl]carbazole
CID 58037505
3-(1-dibenzofuran-1-ylimidazol-2-yl)-9-phenylcarbazole
CID 58947252
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318

Frequently Asked Questions

What is the IUPAC name of 9-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]phenyl]carbazole (CID 140800046) is 9-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]phenyl]carbazole is Cc1c(C)c(C)c(-n2ccnc2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(C)c1C.
What is the InChIKey of 9-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]phenyl]carbazole?
The InChIKey is ZHRQXEOKSSGRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3/c1-20-21(2)23(4)31(24(5)22(20)3)34-19-18-33-32(34)25-14-16-26(17-15-25)35-29-12-8-6-10-27(29)28-11-7-9-13-30(28)35/h6-19H,1-5H3.
What are the key properties of 9-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]phenyl]carbazole?
9-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]phenyl]carbazole has a molecular weight of 455.61 g/mol, XLogP of 8.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]phenyl]carbazole is sourced from PubChem (CID 140800046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).