9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2-methylphenyl)carbazole

C59H40N4 — CID 155463281

IUPAC9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2-methylphenyl)carbazole
SMILESCc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C59H40N4/c1-39-18-8-9-23-44(39)42-32-34-57-49(36-42)47-26-12-17-31-56(47)63(57)58-35-33-43(52-38-51(40-19-4-2-5-20-40)60-59(61-52)41-21-6-3-7-22-41)37-50(58)48-27-13-16-30-55(48)62-53-28-14-10-24-45(53)46-25-11-15-29-54(46)62/h2-38H,1H3
InChIKeyGTYDZJOVSVLRRW-UHFFFAOYSA-N
MW805.00 g/mol
LogP15.31
Rot. Bonds7

About 9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2-methylphenyl)carbazole

9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2-methylphenyl)carbazole (PubChem CID 155463281) has the molecular formula C59H40N4 and a molecular weight of 805.00 g/mol. Its IUPAC name is 9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2-methylphenyl)carbazole.

Molecular Properties

Compound Name9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2-methylphenyl)carbazole
PubChem CID155463281
Molecular FormulaC59H40N4
Molecular Weight805.00 g/mol
Exact Mass804.33
IUPAC Name9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2-methylphenyl)carbazole
SMILESCc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C59H40N4/c1-39-18-8-9-23-44(39)42-32-34-57-49(36-42)47-26-12-17-31-56(47)63(57)58-35-33-43(52-38-51(40-19-4-2-5-20-40)60-59(61-52)41-21-6-3-7-22-41)37-50(58)48-27-13-16-30-55(48)62-53-28-14-10-24-45(53)46-25-11-15-29-54(46)62/h2-38H,1H3
InChIKeyGTYDZJOVSVLRRW-UHFFFAOYSA-N
XLogP15.31
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.00
LogP ≤ 515.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2-methylphenyl)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

9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(4-methylphenyl)carbazole
CID 155463279
9-[2-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole;9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[2-[5-(2,6-diphenylpyrimidin-4-yl)-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 158928148
9-[2-(2-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
CID 155462522
2-[9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]benzonitrile
CID 155463317
9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2-(2-methylphenyl)carbazole
CID 137421448
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(2-methylphenyl)carbazole
CID 162500631
9-[2-[5-(4,6-diphenylpyrimidin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole
CID 155463188
9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole
CID 137414581
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-3-[3-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 154603174
9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)carbazole
CID 155462877
4-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(2-methylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 139496044
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]carbazole
CID 166509952

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2-methylphenyl)carbazole?
The IUPAC name of 9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2-methylphenyl)carbazole (CID 155463281) is 9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2-methylphenyl)carbazole.
What is the SMILES notation for 9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2-methylphenyl)carbazole?
The canonical SMILES for 9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2-methylphenyl)carbazole is Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2-methylphenyl)carbazole?
The InChIKey is GTYDZJOVSVLRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N4/c1-39-18-8-9-23-44(39)42-32-34-57-49(36-42)47-26-12-17-31-56(47)63(57)58-35-33-43(52-38-51(40-19-4-2-5-20-40)60-59(61-52)41-21-6-3-7-22-41)37-50(58)48-27-13-16-30-55(48)62-53-28-14-10-24-45(53)46-25-11-15-29-54(46)62/h2-38H,1H3.
What are the key properties of 9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2-methylphenyl)carbazole?
9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2-methylphenyl)carbazole has a molecular weight of 805.00 g/mol, XLogP of 15.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2-methylphenyl)carbazole is sourced from PubChem (CID 155463281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).