2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole

C58H38N4 — CID 90182893

IUPAC2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2ccc3c4cc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5)ccc4n(-c4ccc(-c5nccc(-c6ccccc6)n5)cc4)c3c2)cc1
InChIInChI=1S/C58H38N4/c1-4-13-39(14-5-1)46-25-30-50-52-37-45(27-32-56(52)62(57(50)38-46)48-28-23-41(24-29-48)58-59-34-33-53(60-58)40-15-6-2-7-16-40)43-18-12-17-42(35-43)44-26-31-55-51(36-44)49-21-10-11-22-54(49)61(55)47-19-8-3-9-20-47/h1-38H
InChIKeyRKQSAKVGKIYIGY-UHFFFAOYSA-N
MW790.97 g/mol
LogP15.01
Rot. Bonds7

About 2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole

2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole (PubChem CID 90182893) has the molecular formula C58H38N4 and a molecular weight of 790.97 g/mol. Its IUPAC name is 2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole
PubChem CID90182893
Molecular FormulaC58H38N4
Molecular Weight790.97 g/mol
Exact Mass790.31
IUPAC Name2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2ccc3c4cc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5)ccc4n(-c4ccc(-c5nccc(-c6ccccc6)n5)cc4)c3c2)cc1
InChIInChI=1S/C58H38N4/c1-4-13-39(14-5-1)46-25-30-50-52-37-45(27-32-56(52)62(57(50)38-46)48-28-23-41(24-29-48)58-59-34-33-53(60-58)40-15-6-2-7-16-40)43-18-12-17-42(35-43)44-26-31-55-51(36-44)49-21-10-11-22-54(49)61(55)47-19-8-3-9-20-47/h1-38H
InChIKeyRKQSAKVGKIYIGY-UHFFFAOYSA-N
XLogP15.01
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.97
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]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-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole
CID 90182892
2-[9-[4-[4-[3-(3,4-diphenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118029035
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-[3-[6-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 170096012
N,N-diphenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazol-3-amine
CID 90182899
2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)pyrimidin-2-yl]carbazole
CID 118083964
2-[9-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 160933001
3-[9-[4-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 134236862
3-(9-phenylcarbazol-2-yl)-9-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 118028979
3-(4-carbazol-9-ylphenyl)-9-phenyl-6-[3-(4-phenylphenyl)phenyl]carbazole;3-(4-carbazol-9-ylphenyl)-9-phenyl-6-[4-(3-phenylphenyl)phenyl]carbazole;2-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165041671
9-phenyl-3-[4-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682010
2-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 159883795
2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158969358

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole?
The IUPAC name of 2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole (CID 90182893) is 2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole.
What is the SMILES notation for 2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole?
The canonical SMILES for 2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole is c1ccc(-c2ccc3c4cc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5)ccc4n(-c4ccc(-c5nccc(-c6ccccc6)n5)cc4)c3c2)cc1.
What is the InChIKey of 2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole?
The InChIKey is RKQSAKVGKIYIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4/c1-4-13-39(14-5-1)46-25-30-50-52-37-45(27-32-56(52)62(57(50)38-46)48-28-23-41(24-29-48)58-59-34-33-53(60-58)40-15-6-2-7-16-40)43-18-12-17-42(35-43)44-26-31-55-51(36-44)49-21-10-11-22-54(49)61(55)47-19-8-3-9-20-47/h1-38H.
What are the key properties of 2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole?
2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole has a molecular weight of 790.97 g/mol, XLogP of 15.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole is sourced from PubChem (CID 90182893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).