9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,5-dimethylphenyl]-2,5-dimethylphenyl]carbazole

C44H35N3 — CID 67574346

IUPAC9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,5-dimethylphenyl]-2,5-dimethylphenyl]carbazole
SMILESCc1cc(-c2cc(C)c(-n3c4ccccc4c4ccccc43)cc2C)c(C)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C44H35N3/c1-28-24-38(40-27-39(32-15-7-5-8-16-32)45-44(46-40)33-17-9-6-10-18-33)29(2)23-36(28)37-25-31(4)43(26-30(37)3)47-41-21-13-11-19-34(41)35-20-12-14-22-42(35)47/h5-27H,1-4H3
InChIKeyNRISNCBEIMPHHS-UHFFFAOYSA-N
MW605.79 g/mol
LogP11.48
Rot. Bonds5

About 9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,5-dimethylphenyl]-2,5-dimethylphenyl]carbazole

9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,5-dimethylphenyl]-2,5-dimethylphenyl]carbazole (PubChem CID 67574346) has the molecular formula C44H35N3 and a molecular weight of 605.79 g/mol. Its IUPAC name is 9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,5-dimethylphenyl]-2,5-dimethylphenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,5-dimethylphenyl]-2,5-dimethylphenyl]carbazole
PubChem CID67574346
Molecular FormulaC44H35N3
Molecular Weight605.79 g/mol
Exact Mass605.28
IUPAC Name9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,5-dimethylphenyl]-2,5-dimethylphenyl]carbazole
SMILESCc1cc(-c2cc(C)c(-n3c4ccccc4c4ccccc43)cc2C)c(C)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C44H35N3/c1-28-24-38(40-27-39(32-15-7-5-8-16-32)45-44(46-40)33-17-9-6-10-18-33)29(2)23-36(28)37-25-31(4)43(26-30(37)3)47-41-21-13-11-19-34(41)35-20-12-14-22-42(35)47/h5-27H,1-4H3
InChIKeyNRISNCBEIMPHHS-UHFFFAOYSA-N
XLogP11.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.79
LogP ≤ 511.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,5-dimethylphenyl]-2,5-dimethylphenyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-carbazol-9-yl-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,5-dimethylphenyl]carbazole
CID 126730426
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]carbazole
CID 166509952
9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2,4-dimethylphenyl)carbazole
CID 137421078
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]-N,N-bis(4-methylphenyl)carbazol-3-amine
CID 126730691
9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730642
9-(4-carbazol-9-yl-2-methyl-5-phenylphenyl)carbazole
CID 118944224
9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2-methylphenyl)carbazole
CID 155463281
3-(3,5-dimethylphenyl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 137414549
9-[2-(4,6-diphenylpyrimidin-2-yl)-4,5-dimethylphenyl]-3-(3-methylcarbazol-9-yl)carbazole
CID 174181980
9-[2-(2-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
CID 155462522
9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]-2,5-dimethylphenyl]phenyl]phenyl]-3-carbazol-9-ylcarbazole;9-[4-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]-2,5-dimethylphenyl]phenyl]-3-carbazol-9-ylcarbazole;9-[4-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]-2,5-dimethylphenyl]-3-carbazol-9-ylcarbazole;9-[9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]carbazol-3-yl]-3,6-dimethylcarbazole
CID 160909277
19-[4-(4,6-diphenylpyrimidin-2-yl)-2,5-dimethylphenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 118892075

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,5-dimethylphenyl]-2,5-dimethylphenyl]carbazole?
The IUPAC name of 9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,5-dimethylphenyl]-2,5-dimethylphenyl]carbazole (CID 67574346) is 9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,5-dimethylphenyl]-2,5-dimethylphenyl]carbazole.
What is the SMILES notation for 9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,5-dimethylphenyl]-2,5-dimethylphenyl]carbazole?
The canonical SMILES for 9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,5-dimethylphenyl]-2,5-dimethylphenyl]carbazole is Cc1cc(-c2cc(C)c(-n3c4ccccc4c4ccccc43)cc2C)c(C)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,5-dimethylphenyl]-2,5-dimethylphenyl]carbazole?
The InChIKey is NRISNCBEIMPHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35N3/c1-28-24-38(40-27-39(32-15-7-5-8-16-32)45-44(46-40)33-17-9-6-10-18-33)29(2)23-36(28)37-25-31(4)43(26-30(37)3)47-41-21-13-11-19-34(41)35-20-12-14-22-42(35)47/h5-27H,1-4H3.
What are the key properties of 9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,5-dimethylphenyl]-2,5-dimethylphenyl]carbazole?
9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,5-dimethylphenyl]-2,5-dimethylphenyl]carbazole has a molecular weight of 605.79 g/mol, XLogP of 11.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,5-dimethylphenyl]-2,5-dimethylphenyl]carbazole is sourced from PubChem (CID 67574346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).