9-[2-[5-(4,6-diphenylpyrimidin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole

C66H46N4 — CID 155463188

IUPAC9-[2-[5-(4,6-diphenylpyrimidin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole
SMILESCc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3cc(-c4cccc(C)c4)ccc32)c1
InChIInChI=1S/C66H46N4/c1-43-17-15-23-47(37-43)49-31-34-63-55(39-49)52-25-9-12-28-60(52)69(63)61-29-13-11-27-54(61)57-41-51(66-67-58(45-19-5-3-6-20-45)42-59(68-66)46-21-7-4-8-22-46)33-36-65(57)70-62-30-14-10-26-53(62)56-40-50(32-35-64(56)70)48-24-16-18-44(2)38-48/h3-42H,1-2H3
InChIKeyAWOLXWFXXYBYCK-UHFFFAOYSA-N
MW895.12 g/mol
LogP17.29
Rot. Bonds8

About 9-[2-[5-(4,6-diphenylpyrimidin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole

9-[2-[5-(4,6-diphenylpyrimidin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole (PubChem CID 155463188) has the molecular formula C66H46N4 and a molecular weight of 895.12 g/mol. Its IUPAC name is 9-[2-[5-(4,6-diphenylpyrimidin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole.

Molecular Properties

Compound Name9-[2-[5-(4,6-diphenylpyrimidin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole
PubChem CID155463188
Molecular FormulaC66H46N4
Molecular Weight895.12 g/mol
Exact Mass894.37
IUPAC Name9-[2-[5-(4,6-diphenylpyrimidin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole
SMILESCc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3cc(-c4cccc(C)c4)ccc32)c1
InChIInChI=1S/C66H46N4/c1-43-17-15-23-47(37-43)49-31-34-63-55(39-49)52-25-9-12-28-60(52)69(63)61-29-13-11-27-54(61)57-41-51(66-67-58(45-19-5-3-6-20-45)42-59(68-66)46-21-7-4-8-22-46)33-36-65(57)70-62-30-14-10-26-53(62)56-40-50(32-35-64(56)70)48-24-16-18-44(2)38-48/h3-42H,1-2H3
InChIKeyAWOLXWFXXYBYCK-UHFFFAOYSA-N
XLogP17.29
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.12
LogP ≤ 517.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[2-[5-(4,6-diphenylpyrimidin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-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-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole
CID 137420844
3-(3,5-dimethylphenyl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 137414549
9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole
CID 159147902
9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2-methylphenyl)carbazole
CID 155463281
9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole
CID 137414587
3-(3,5-dimethylphenyl)-9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137421384
9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(3-methylphenyl)carbazole
CID 137421310
9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 155463041
9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-methylphenyl)carbazole
CID 158497325
9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
CID 155462612
3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole
CID 159261000

Frequently Asked Questions

What is the IUPAC name of 9-[2-[5-(4,6-diphenylpyrimidin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole?
The IUPAC name of 9-[2-[5-(4,6-diphenylpyrimidin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole (CID 155463188) is 9-[2-[5-(4,6-diphenylpyrimidin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole.
What is the SMILES notation for 9-[2-[5-(4,6-diphenylpyrimidin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole?
The canonical SMILES for 9-[2-[5-(4,6-diphenylpyrimidin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole is Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3cc(-c4cccc(C)c4)ccc32)c1.
What is the InChIKey of 9-[2-[5-(4,6-diphenylpyrimidin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole?
The InChIKey is AWOLXWFXXYBYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N4/c1-43-17-15-23-47(37-43)49-31-34-63-55(39-49)52-25-9-12-28-60(52)69(63)61-29-13-11-27-54(61)57-41-51(66-67-58(45-19-5-3-6-20-45)42-59(68-66)46-21-7-4-8-22-46)33-36-65(57)70-62-30-14-10-26-53(62)56-40-50(32-35-64(56)70)48-24-16-18-44(2)38-48/h3-42H,1-2H3.
What are the key properties of 9-[2-[5-(4,6-diphenylpyrimidin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole?
9-[2-[5-(4,6-diphenylpyrimidin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole has a molecular weight of 895.12 g/mol, XLogP of 17.29, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[5-(4,6-diphenylpyrimidin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole is sourced from PubChem (CID 155463188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).