9-[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenyl]-2,4-diphenylcarbazole

C41H31N3 — CID 140799994

IUPAC9-[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenyl]-2,4-diphenylcarbazole
SMILESCc1cccc(C)c1-n1ccnc1-c1ccc(-n2c3ccccc3c3c(-c4ccccc4)cc(-c4ccccc4)cc32)cc1
InChIInChI=1S/C41H31N3/c1-28-12-11-13-29(2)40(28)43-25-24-42-41(43)32-20-22-34(23-21-32)44-37-19-10-9-18-35(37)39-36(31-16-7-4-8-17-31)26-33(27-38(39)44)30-14-5-3-6-15-30/h3-27H,1-2H3
InChIKeyZDINMZBBGQCTLP-UHFFFAOYSA-N
MW565.72 g/mol
LogP10.59
Rot. Bonds5

About 9-[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenyl]-2,4-diphenylcarbazole

9-[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenyl]-2,4-diphenylcarbazole (PubChem CID 140799994) has the molecular formula C41H31N3 and a molecular weight of 565.72 g/mol. Its IUPAC name is 9-[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenyl]-2,4-diphenylcarbazole.

Molecular Properties

Compound Name9-[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenyl]-2,4-diphenylcarbazole
PubChem CID140799994
Molecular FormulaC41H31N3
Molecular Weight565.72 g/mol
Exact Mass565.25
IUPAC Name9-[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenyl]-2,4-diphenylcarbazole
SMILESCc1cccc(C)c1-n1ccnc1-c1ccc(-n2c3ccccc3c3c(-c4ccccc4)cc(-c4ccccc4)cc32)cc1
InChIInChI=1S/C41H31N3/c1-28-12-11-13-29(2)40(28)43-25-24-42-41(43)32-20-22-34(23-21-32)44-37-19-10-9-18-35(37)39-36(31-16-7-4-8-17-31)26-33(27-38(39)44)30-14-5-3-6-15-30/h3-27H,1-2H3
InChIKeyZDINMZBBGQCTLP-UHFFFAOYSA-N
XLogP10.59
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.72
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
4-phenyl-9-[4-(3-phenylphenyl)phenyl]-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087478
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)carbazole
CID 170539165
9-[4-(1-phenylimidazol-2-yl)phenyl]carbazole
CID 140800069
4-methyl-9-(4-phenylphenyl)carbazole
CID 122415243
2,4-bis(4-methylphenyl)-9-pyrimidin-2-ylcarbazole
CID 122395291
9-[4-[1-(4,6-diphenylpyrimidin-2-yl)imidazol-2-yl]phenyl]carbazole
CID 90181035
9-[3-carbazol-9-yl-5-[8-[2,4-dimethyl-3-(2-phenylimidazol-1-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 71278024
1-[2-methyl-6-(trideuteriomethyl)phenyl]-2-phenylimidazole
CID 158537931
2-methyl-4,9-diphenylcarbazole
CID 134488069
4-methyl-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 148666975

Frequently Asked Questions

What is the IUPAC name of 9-[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenyl]-2,4-diphenylcarbazole?
The IUPAC name of 9-[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenyl]-2,4-diphenylcarbazole (CID 140799994) is 9-[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenyl]-2,4-diphenylcarbazole.
What is the SMILES notation for 9-[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenyl]-2,4-diphenylcarbazole?
The canonical SMILES for 9-[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenyl]-2,4-diphenylcarbazole is Cc1cccc(C)c1-n1ccnc1-c1ccc(-n2c3ccccc3c3c(-c4ccccc4)cc(-c4ccccc4)cc32)cc1.
What is the InChIKey of 9-[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenyl]-2,4-diphenylcarbazole?
The InChIKey is ZDINMZBBGQCTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31N3/c1-28-12-11-13-29(2)40(28)43-25-24-42-41(43)32-20-22-34(23-21-32)44-37-19-10-9-18-35(37)39-36(31-16-7-4-8-17-31)26-33(27-38(39)44)30-14-5-3-6-15-30/h3-27H,1-2H3.
What are the key properties of 9-[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenyl]-2,4-diphenylcarbazole?
9-[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenyl]-2,4-diphenylcarbazole has a molecular weight of 565.72 g/mol, XLogP of 10.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenyl]-2,4-diphenylcarbazole is sourced from PubChem (CID 140799994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).