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

C39H25BrN4 — CID 155195850

IUPAC9-[3-bromo-5-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]carbazole
SMILESBrc1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccncc3)n2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C39H25BrN4/c40-31-22-30(23-32(24-31)44-37-12-6-4-10-33(37)34-11-5-7-13-38(34)44)36-25-35(42-39(43-36)29-18-20-41-21-19-29)28-16-14-27(15-17-28)26-8-2-1-3-9-26/h1-25H
InChIKeyJEGVCICRDGWYRI-UHFFFAOYSA-N
MW629.56 g/mol
LogP10.40
Rot. Bonds5

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

9-[3-bromo-5-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]carbazole (PubChem CID 155195850) has the molecular formula C39H25BrN4 and a molecular weight of 629.56 g/mol. Its IUPAC name is 9-[3-bromo-5-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-bromo-5-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]carbazole
PubChem CID155195850
Molecular FormulaC39H25BrN4
Molecular Weight629.56 g/mol
Exact Mass628.13
IUPAC Name9-[3-bromo-5-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]carbazole
SMILESBrc1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccncc3)n2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C39H25BrN4/c40-31-22-30(23-32(24-31)44-37-12-6-4-10-33(37)34-11-5-7-13-38(34)44)36-25-35(42-39(43-36)29-18-20-41-21-19-29)28-16-14-27(15-17-28)26-8-2-1-3-9-26/h1-25H
InChIKeyJEGVCICRDGWYRI-UHFFFAOYSA-N
XLogP10.40
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.56
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-bromo-5-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 155196015
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-bromo-5-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 155195933
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-carbazol-9-yl-5-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 168836039
9-[3-[6-(4-phenylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 130465926
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-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-[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-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-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]carbazole?
The IUPAC name of 9-[3-bromo-5-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]carbazole (CID 155195850) is 9-[3-bromo-5-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-bromo-5-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-bromo-5-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]carbazole is Brc1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccncc3)n2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[3-bromo-5-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]carbazole?
The InChIKey is JEGVCICRDGWYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25BrN4/c40-31-22-30(23-32(24-31)44-37-12-6-4-10-33(37)34-11-5-7-13-38(34)44)36-25-35(42-39(43-36)29-18-20-41-21-19-29)28-16-14-27(15-17-28)26-8-2-1-3-9-26/h1-25H.
What are the key properties of 9-[3-bromo-5-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]carbazole?
9-[3-bromo-5-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]carbazole has a molecular weight of 629.56 g/mol, XLogP of 10.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-bromo-5-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]carbazole is sourced from PubChem (CID 155195850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).