9-phenyl-3-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole

C33H22N4 — CID 67952723

IUPAC9-phenyl-3-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc(-c3ccccn3)n2)cc1
InChIInChI=1S/C33H22N4/c1-3-11-23(12-4-1)33-35-29(22-30(36-33)28-16-9-10-20-34-28)24-18-19-32-27(21-24)26-15-7-8-17-31(26)37(32)25-13-5-2-6-14-25/h1-22H
InChIKeyVPROYFZFTUSUBJ-UHFFFAOYSA-N
MW474.57 g/mol
LogP7.97
Rot. Bonds4

About 9-phenyl-3-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole

9-phenyl-3-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole (PubChem CID 67952723) has the molecular formula C33H22N4 and a molecular weight of 474.57 g/mol. Its IUPAC name is 9-phenyl-3-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole.

Molecular Properties

Compound Name9-phenyl-3-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole
PubChem CID67952723
Molecular FormulaC33H22N4
Molecular Weight474.57 g/mol
Exact Mass474.18
IUPAC Name9-phenyl-3-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc(-c3ccccn3)n2)cc1
InChIInChI=1S/C33H22N4/c1-3-11-23(12-4-1)33-35-29(22-30(36-33)28-16-9-10-20-34-28)24-18-19-32-27(21-24)26-15-7-8-17-31(26)37(32)25-13-5-2-6-14-25/h1-22H
InChIKeyVPROYFZFTUSUBJ-UHFFFAOYSA-N
XLogP7.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.57
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-[4-[6-(4-phenylphenyl)-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 176826323
9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(3-pyridin-2-ylcarbazol-9-yl)phenyl]-3-pyridin-2-ylcarbazole
CID 151236642
3,6-dibromo-9-phenylcarbazole;9-phenyl-3,6-bis[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]carbazole
CID 157457709
9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole;9-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]carbazole;9-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole;9-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 157415442
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283
3-[3-[4,6-bis(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]-9-(3-carbazol-9-ylphenyl)carbazole
CID 90209024
3-[9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 158332871
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
3-(6,9-diphenylcarbazol-3-yl)-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenylcarbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 161143744
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 140923164
9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 118289395
9-[3-[2-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632710

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole?
The IUPAC name of 9-phenyl-3-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole (CID 67952723) is 9-phenyl-3-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole.
What is the SMILES notation for 9-phenyl-3-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole?
The canonical SMILES for 9-phenyl-3-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole is c1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc(-c3ccccn3)n2)cc1.
What is the InChIKey of 9-phenyl-3-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole?
The InChIKey is VPROYFZFTUSUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N4/c1-3-11-23(12-4-1)33-35-29(22-30(36-33)28-16-9-10-20-34-28)24-18-19-32-27(21-24)26-15-7-8-17-31(26)37(32)25-13-5-2-6-14-25/h1-22H.
What are the key properties of 9-phenyl-3-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole?
9-phenyl-3-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole has a molecular weight of 474.57 g/mol, XLogP of 7.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole is sourced from PubChem (CID 67952723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).