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

C28H18ClN3 — CID 142615117

IUPAC9-[3-(6-chloro-2-phenylpyrimidin-4-yl)phenyl]carbazole
SMILESClc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C28H18ClN3/c29-27-18-24(30-28(31-27)19-9-2-1-3-10-19)20-11-8-12-21(17-20)32-25-15-6-4-13-22(25)23-14-5-7-16-26(23)32/h1-18H
InChIKeyNVKNMLYUFWIASC-UHFFFAOYSA-N
MW431.93 g/mol
LogP7.56
Rot. Bonds3

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

9-[3-(6-chloro-2-phenylpyrimidin-4-yl)phenyl]carbazole (PubChem CID 142615117) has the molecular formula C28H18ClN3 and a molecular weight of 431.93 g/mol. Its IUPAC name is 9-[3-(6-chloro-2-phenylpyrimidin-4-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-(6-chloro-2-phenylpyrimidin-4-yl)phenyl]carbazole
PubChem CID142615117
Molecular FormulaC28H18ClN3
Molecular Weight431.93 g/mol
Exact Mass431.12
IUPAC Name9-[3-(6-chloro-2-phenylpyrimidin-4-yl)phenyl]carbazole
SMILESClc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C28H18ClN3/c29-27-18-24(30-28(31-27)19-9-2-1-3-10-19)20-11-8-12-21(17-20)32-25-15-6-4-13-22(25)23-14-5-7-16-26(23)32/h1-18H
InChIKeyNVKNMLYUFWIASC-UHFFFAOYSA-N
XLogP7.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.93
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-[3-(6-chloro-2-phenylpyrimidin-4-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

9-[3-(4-chloro-6-phenylpyrimidin-2-yl)phenyl]-3-phenylcarbazole
CID 155019131
9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 164822819
9-[3-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;9-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164988819
9-[3-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 118901401
9-[3-[4-[2-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 159741626
9-[3-[4-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazole;9-[3-[2-[3-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]phenyl]carbazole;9-[3-[4-[3-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 161143543
9-[3-[6-(4-phenylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 130465926
2-(2-phenylphenyl)-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 135143807
9-[3-[3-[4-[4-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 177124510
9-[3-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]carbazole
CID 58971549
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
2-(3,5-diphenylphenyl)-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 135144091

Frequently Asked Questions

What is the IUPAC name of 9-[3-(6-chloro-2-phenylpyrimidin-4-yl)phenyl]carbazole?
The IUPAC name of 9-[3-(6-chloro-2-phenylpyrimidin-4-yl)phenyl]carbazole (CID 142615117) is 9-[3-(6-chloro-2-phenylpyrimidin-4-yl)phenyl]carbazole.
What is the SMILES notation for 9-[3-(6-chloro-2-phenylpyrimidin-4-yl)phenyl]carbazole?
The canonical SMILES for 9-[3-(6-chloro-2-phenylpyrimidin-4-yl)phenyl]carbazole is Clc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)nc(-c2ccccc2)n1.
What is the InChIKey of 9-[3-(6-chloro-2-phenylpyrimidin-4-yl)phenyl]carbazole?
The InChIKey is NVKNMLYUFWIASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18ClN3/c29-27-18-24(30-28(31-27)19-9-2-1-3-10-19)20-11-8-12-21(17-20)32-25-15-6-4-13-22(25)23-14-5-7-16-26(23)32/h1-18H.
What are the key properties of 9-[3-(6-chloro-2-phenylpyrimidin-4-yl)phenyl]carbazole?
9-[3-(6-chloro-2-phenylpyrimidin-4-yl)phenyl]carbazole has a molecular weight of 431.93 g/mol, XLogP of 7.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(6-chloro-2-phenylpyrimidin-4-yl)phenyl]carbazole is sourced from PubChem (CID 142615117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).