9-[3-bromo-5-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole

C38H24BrN5 — CID 155196015

IUPAC9-[3-bromo-5-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
SMILESBrc1cc(-c2cc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccncc3)n2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C38H24BrN5/c39-30-21-29(22-31(23-30)44-36-7-3-1-5-32(36)33-6-2-4-8-37(33)44)35-24-34(42-38(43-35)28-15-19-41-20-16-28)27-11-9-25(10-12-27)26-13-17-40-18-14-26/h1-24H
InChIKeyYRFKNABYNSDCCM-UHFFFAOYSA-N
MW630.55 g/mol
LogP9.79
Rot. Bonds5

About 9-[3-bromo-5-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole

9-[3-bromo-5-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole (PubChem CID 155196015) has the molecular formula C38H24BrN5 and a molecular weight of 630.55 g/mol. Its IUPAC name is 9-[3-bromo-5-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-bromo-5-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
PubChem CID155196015
Molecular FormulaC38H24BrN5
Molecular Weight630.55 g/mol
Exact Mass629.12
IUPAC Name9-[3-bromo-5-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
SMILESBrc1cc(-c2cc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccncc3)n2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C38H24BrN5/c39-30-21-29(22-31(23-30)44-36-7-3-1-5-32(36)33-6-2-4-8-37(33)44)35-24-34(42-38(43-35)28-15-19-41-20-16-28)27-11-9-25(10-12-27)26-13-17-40-18-14-26/h1-24H
InChIKeyYRFKNABYNSDCCM-UHFFFAOYSA-N
XLogP9.79
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.55
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[3-bromo-5-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-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-bromo-5-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]carbazole
CID 155195850
9-[3-bromo-5-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155708573
9-[3-bromo-5-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155196000
9-[3-bromo-5-[4-(4-phenylphenyl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155708556
9-[3-carbazol-9-yl-5-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 168836039
9-[3-bromo-5-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 155195933
9-[3-bromo-5-[4-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155708582
9-[3-[6-(4-phenylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 130465926
9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole
CID 163771254
9-[3-phenyl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 167223796
9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]phenyl]-5-phenylphenyl]carbazole
CID 58943730
9-[3-bromo-5-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)phenyl]carbazole
CID 151542423

Frequently Asked Questions

What is the IUPAC name of 9-[3-bromo-5-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
The IUPAC name of 9-[3-bromo-5-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole (CID 155196015) is 9-[3-bromo-5-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-bromo-5-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-bromo-5-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole is Brc1cc(-c2cc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccncc3)n2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[3-bromo-5-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
The InChIKey is YRFKNABYNSDCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24BrN5/c39-30-21-29(22-31(23-30)44-36-7-3-1-5-32(36)33-6-2-4-8-37(33)44)35-24-34(42-38(43-35)28-15-19-41-20-16-28)27-11-9-25(10-12-27)26-13-17-40-18-14-26/h1-24H.
What are the key properties of 9-[3-bromo-5-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
9-[3-bromo-5-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole has a molecular weight of 630.55 g/mol, XLogP of 9.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-bromo-5-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole is sourced from PubChem (CID 155196015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).