9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(3-pyridin-2-ylcarbazol-9-yl)phenyl]-3-pyridin-2-ylcarbazole

C56H36N6 — CID 151236642

IUPAC9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(3-pyridin-2-ylcarbazol-9-yl)phenyl]-3-pyridin-2-ylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5cc(-c6ccccn6)ccc54)cc(-n4c5ccccc5c5cc(-c6ccccn6)ccc54)c3)n2)cc1
InChIInChI=1S/C56H36N6/c1-3-15-37(16-4-1)50-36-51(38-17-5-2-6-18-38)60-56(59-50)41-31-42(61-52-23-9-7-19-44(52)46-33-39(25-27-54(46)61)48-21-11-13-29-57-48)35-43(32-41)62-53-24-10-8-20-45(53)47-34-40(26-28-55(47)62)49-22-12-14-30-58-49/h1-36H
InChIKeyNPKKPWIGWUNMST-UHFFFAOYSA-N
MW792.95 g/mol
LogP13.80
Rot. Bonds7

About 9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(3-pyridin-2-ylcarbazol-9-yl)phenyl]-3-pyridin-2-ylcarbazole

9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(3-pyridin-2-ylcarbazol-9-yl)phenyl]-3-pyridin-2-ylcarbazole (PubChem CID 151236642) has the molecular formula C56H36N6 and a molecular weight of 792.95 g/mol. Its IUPAC name is 9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(3-pyridin-2-ylcarbazol-9-yl)phenyl]-3-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(3-pyridin-2-ylcarbazol-9-yl)phenyl]-3-pyridin-2-ylcarbazole
PubChem CID151236642
Molecular FormulaC56H36N6
Molecular Weight792.95 g/mol
Exact Mass792.30
IUPAC Name9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(3-pyridin-2-ylcarbazol-9-yl)phenyl]-3-pyridin-2-ylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5cc(-c6ccccn6)ccc54)cc(-n4c5ccccc5c5cc(-c6ccccn6)ccc54)c3)n2)cc1
InChIInChI=1S/C56H36N6/c1-3-15-37(16-4-1)50-36-51(38-17-5-2-6-18-38)60-56(59-50)41-31-42(61-52-23-9-7-19-44(52)46-33-39(25-27-54(46)61)48-21-11-13-29-57-48)35-43(32-41)62-53-24-10-8-20-45(53)47-34-40(26-28-55(47)62)49-22-12-14-30-58-49/h1-36H
InChIKeyNPKKPWIGWUNMST-UHFFFAOYSA-N
XLogP13.80
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.95
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(3-pyridin-2-ylcarbazol-9-yl)phenyl]-3-pyridin-2-ylcarbazole 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-[4,6-bis(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]-9-(3-carbazol-9-ylphenyl)carbazole
CID 90209024
3-(9-phenylcarbazol-3-yl)-9-[4-[6-(4-phenylphenyl)-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 176826323
9-phenyl-3-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole
CID 67952723
3-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-[3-carbazol-9-yl-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole
CID 155380099
9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole
CID 152615807
9-[3-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenylcarbazole
CID 171763921
9-[4-[2-[4-[4-[4-(4-carbazol-9-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 88557862
9-[4-[6-(4-pyridin-2-ylphenyl)-2-triphenylen-2-ylpyrimidin-4-yl]phenyl]carbazole
CID 121422890
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole
CID 71277989
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-isocyanocarbazole;9-(3,5-dipyridin-2-ylphenyl)-3,6-diphenylcarbazole;9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 157122451
3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(3-pyridin-2-ylcarbazol-9-yl)phenyl]-3-pyridin-2-ylcarbazole?
The IUPAC name of 9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(3-pyridin-2-ylcarbazol-9-yl)phenyl]-3-pyridin-2-ylcarbazole (CID 151236642) is 9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(3-pyridin-2-ylcarbazol-9-yl)phenyl]-3-pyridin-2-ylcarbazole.
What is the SMILES notation for 9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(3-pyridin-2-ylcarbazol-9-yl)phenyl]-3-pyridin-2-ylcarbazole?
The canonical SMILES for 9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(3-pyridin-2-ylcarbazol-9-yl)phenyl]-3-pyridin-2-ylcarbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5cc(-c6ccccn6)ccc54)cc(-n4c5ccccc5c5cc(-c6ccccn6)ccc54)c3)n2)cc1.
What is the InChIKey of 9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(3-pyridin-2-ylcarbazol-9-yl)phenyl]-3-pyridin-2-ylcarbazole?
The InChIKey is NPKKPWIGWUNMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N6/c1-3-15-37(16-4-1)50-36-51(38-17-5-2-6-18-38)60-56(59-50)41-31-42(61-52-23-9-7-19-44(52)46-33-39(25-27-54(46)61)48-21-11-13-29-57-48)35-43(32-41)62-53-24-10-8-20-45(53)47-34-40(26-28-55(47)62)49-22-12-14-30-58-49/h1-36H.
What are the key properties of 9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(3-pyridin-2-ylcarbazol-9-yl)phenyl]-3-pyridin-2-ylcarbazole?
9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(3-pyridin-2-ylcarbazol-9-yl)phenyl]-3-pyridin-2-ylcarbazole has a molecular weight of 792.95 g/mol, XLogP of 13.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(3-pyridin-2-ylcarbazol-9-yl)phenyl]-3-pyridin-2-ylcarbazole is sourced from PubChem (CID 151236642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).