9-[4-(4,6-dimethylpyrimidin-2-yl)-2-(3,5-diphenylphenyl)phenyl]-3-methylcarbazole

C43H33N3 — CID 153396357

IUPAC9-[4-(4,6-dimethylpyrimidin-2-yl)-2-(3,5-diphenylphenyl)phenyl]-3-methylcarbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(C)cc(C)n2)cc1-c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C43H33N3/c1-28-18-20-42-39(22-28)37-16-10-11-17-40(37)46(42)41-21-19-33(43-44-29(2)23-30(3)45-43)27-38(41)36-25-34(31-12-6-4-7-13-31)24-35(26-36)32-14-8-5-9-15-32/h4-27H,1-3H3
InChIKeyYPESRBCALUWIQC-UHFFFAOYSA-N
MW591.76 g/mol
LogP11.17
Rot. Bonds5

About 9-[4-(4,6-dimethylpyrimidin-2-yl)-2-(3,5-diphenylphenyl)phenyl]-3-methylcarbazole

9-[4-(4,6-dimethylpyrimidin-2-yl)-2-(3,5-diphenylphenyl)phenyl]-3-methylcarbazole (PubChem CID 153396357) has the molecular formula C43H33N3 and a molecular weight of 591.76 g/mol. Its IUPAC name is 9-[4-(4,6-dimethylpyrimidin-2-yl)-2-(3,5-diphenylphenyl)phenyl]-3-methylcarbazole.

Molecular Properties

Compound Name9-[4-(4,6-dimethylpyrimidin-2-yl)-2-(3,5-diphenylphenyl)phenyl]-3-methylcarbazole
PubChem CID153396357
Molecular FormulaC43H33N3
Molecular Weight591.76 g/mol
Exact Mass591.27
IUPAC Name9-[4-(4,6-dimethylpyrimidin-2-yl)-2-(3,5-diphenylphenyl)phenyl]-3-methylcarbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(C)cc(C)n2)cc1-c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C43H33N3/c1-28-18-20-42-39(22-28)37-16-10-11-17-40(37)46(42)41-21-19-33(43-44-29(2)23-30(3)45-43)27-38(41)36-25-34(31-12-6-4-7-13-31)24-35(26-36)32-14-8-5-9-15-32/h4-27H,1-3H3
InChIKeyYPESRBCALUWIQC-UHFFFAOYSA-N
XLogP11.17
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.76
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]phenyl]phenyl]-3-methylcarbazole
CID 163586496
9-[2-[3-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4-methylphenyl)carbazole
CID 162500488
9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(3-methylcarbazol-9-yl)phenyl]phenyl]phenyl]-3-methylcarbazole
CID 163536109
9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 137414472
9-[2-[4-[4-carbazol-9-yl-6-[4-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
CID 139303352
9-[2-[3-[2-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
CID 163501090
3-(3,5-dimethylphenyl)-9-[4-[4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 139504246
9-[2-[3-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
CID 162500791
9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-4-pyridinyl]-3-methylcarbazole
CID 156679474
9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(4-methylphenyl)carbazole
CID 155463279
9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-4-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-5-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole
CID 159095382
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3-methylcarbazole
CID 158199307

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-dimethylpyrimidin-2-yl)-2-(3,5-diphenylphenyl)phenyl]-3-methylcarbazole?
The IUPAC name of 9-[4-(4,6-dimethylpyrimidin-2-yl)-2-(3,5-diphenylphenyl)phenyl]-3-methylcarbazole (CID 153396357) is 9-[4-(4,6-dimethylpyrimidin-2-yl)-2-(3,5-diphenylphenyl)phenyl]-3-methylcarbazole.
What is the SMILES notation for 9-[4-(4,6-dimethylpyrimidin-2-yl)-2-(3,5-diphenylphenyl)phenyl]-3-methylcarbazole?
The canonical SMILES for 9-[4-(4,6-dimethylpyrimidin-2-yl)-2-(3,5-diphenylphenyl)phenyl]-3-methylcarbazole is Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(C)cc(C)n2)cc1-c1cc(-c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of 9-[4-(4,6-dimethylpyrimidin-2-yl)-2-(3,5-diphenylphenyl)phenyl]-3-methylcarbazole?
The InChIKey is YPESRBCALUWIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N3/c1-28-18-20-42-39(22-28)37-16-10-11-17-40(37)46(42)41-21-19-33(43-44-29(2)23-30(3)45-43)27-38(41)36-25-34(31-12-6-4-7-13-31)24-35(26-36)32-14-8-5-9-15-32/h4-27H,1-3H3.
What are the key properties of 9-[4-(4,6-dimethylpyrimidin-2-yl)-2-(3,5-diphenylphenyl)phenyl]-3-methylcarbazole?
9-[4-(4,6-dimethylpyrimidin-2-yl)-2-(3,5-diphenylphenyl)phenyl]-3-methylcarbazole has a molecular weight of 591.76 g/mol, XLogP of 11.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4,6-dimethylpyrimidin-2-yl)-2-(3,5-diphenylphenyl)phenyl]-3-methylcarbazole is sourced from PubChem (CID 153396357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).