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

C44H34N4 — CID 158390729

IUPAC9-[2-(2,6-dimethylpyrimidin-4-yl)-4-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccc(-n2c3ccccc3c3cc(C)ccc32)c(-c2cc(C)nc(C)n2)c1
InChIInChI=1S/C44H34N4/c1-27-17-20-42-35(23-27)33-12-6-9-15-40(33)47(42)39-14-8-5-11-32(39)31-19-22-44(37(26-31)38-25-29(3)45-30(4)46-38)48-41-16-10-7-13-34(41)36-24-28(2)18-21-43(36)48/h5-26H,1-4H3
InChIKeyFLAQEHJXBCJCKS-UHFFFAOYSA-N
MW618.78 g/mol
LogP11.24
Rot. Bonds4

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

9-[2-(2,6-dimethylpyrimidin-4-yl)-4-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole (PubChem CID 158390729) has the molecular formula C44H34N4 and a molecular weight of 618.78 g/mol. Its IUPAC name is 9-[2-(2,6-dimethylpyrimidin-4-yl)-4-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole.

Molecular Properties

Compound Name9-[2-(2,6-dimethylpyrimidin-4-yl)-4-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole
PubChem CID158390729
Molecular FormulaC44H34N4
Molecular Weight618.78 g/mol
Exact Mass618.28
IUPAC Name9-[2-(2,6-dimethylpyrimidin-4-yl)-4-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccc(-n2c3ccccc3c3cc(C)ccc32)c(-c2cc(C)nc(C)n2)c1
InChIInChI=1S/C44H34N4/c1-27-17-20-42-35(23-27)33-12-6-9-15-40(33)47(42)39-14-8-5-11-32(39)31-19-22-44(37(26-31)38-25-29(3)45-30(4)46-38)48-41-16-10-7-13-34(41)36-24-28(2)18-21-43(36)48/h5-26H,1-4H3
InChIKeyFLAQEHJXBCJCKS-UHFFFAOYSA-N
XLogP11.24
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.78
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[2-(2,6-dimethylpyrimidin-4-yl)-4-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole 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

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-[2-[6-(2-carbazol-9-ylphenyl)-2-methylpyrimidin-4-yl]phenyl]carbazole
CID 138393255
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-(2-carbazol-9-ylphenyl)phenyl]-3-methylcarbazole
CID 170201849
3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 170060425
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-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-(2-carbazol-9-ylphenyl)phenyl]-3,6-dimethylcarbazole
CID 155636691
3-methyl-9-[2-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 58771355
9-[2,6-bis[2-(3,6-dimethylcarbazol-9-yl)phenyl]-4-(2,6-dimethylpyrimidin-4-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[2,6-bis[3-(3,6-dimethylcarbazol-9-yl)phenyl]-4-(2,6-dimethylpyrimidin-4-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[2,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-(2,6-dimethylpyrimidin-4-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole
CID 159211849
9-[4-(4,6-dimethylpyrimidin-2-yl)-2-(3,5-diphenylphenyl)phenyl]-3-methylcarbazole
CID 153396357
9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-4-pyridinyl]-3-methylcarbazole
CID 156679474
3-methyl-9-[4-[4-(3-methylcarbazol-9-yl)phenyl]-2-(2,5,6-trimethylpyrimidin-4-yl)phenyl]carbazole;3-methyl-9-[4-[4-(3-methylcarbazol-9-yl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)phenyl]carbazole
CID 159456270

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2,6-dimethylpyrimidin-4-yl)-4-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole?
The IUPAC name of 9-[2-(2,6-dimethylpyrimidin-4-yl)-4-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole (CID 158390729) is 9-[2-(2,6-dimethylpyrimidin-4-yl)-4-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole.
What is the SMILES notation for 9-[2-(2,6-dimethylpyrimidin-4-yl)-4-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole?
The canonical SMILES for 9-[2-(2,6-dimethylpyrimidin-4-yl)-4-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole is Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccc(-n2c3ccccc3c3cc(C)ccc32)c(-c2cc(C)nc(C)n2)c1.
What is the InChIKey of 9-[2-(2,6-dimethylpyrimidin-4-yl)-4-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole?
The InChIKey is FLAQEHJXBCJCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N4/c1-27-17-20-42-35(23-27)33-12-6-9-15-40(33)47(42)39-14-8-5-11-32(39)31-19-22-44(37(26-31)38-25-29(3)45-30(4)46-38)48-41-16-10-7-13-34(41)36-24-28(2)18-21-43(36)48/h5-26H,1-4H3.
What are the key properties of 9-[2-(2,6-dimethylpyrimidin-4-yl)-4-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole?
9-[2-(2,6-dimethylpyrimidin-4-yl)-4-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole has a molecular weight of 618.78 g/mol, XLogP of 11.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2,6-dimethylpyrimidin-4-yl)-4-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole is sourced from PubChem (CID 158390729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).