9-[3-bromo-5-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole

C38H24BrN5 — CID 155196000

IUPAC9-[3-bromo-5-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESBrc1cc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccncc4)cc3)n2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C38H24BrN5/c39-30-22-29(23-31(24-30)44-34-12-6-4-10-32(34)33-11-5-7-13-35(33)44)38-42-36(27-8-2-1-3-9-27)41-37(43-38)28-16-14-25(15-17-28)26-18-20-40-21-19-26/h1-24H
InChIKeyHUPIKCOJHBFLSZ-UHFFFAOYSA-N
MW630.55 g/mol
LogP9.79
Rot. Bonds5

About 9-[3-bromo-5-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole

9-[3-bromo-5-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 155196000) has the molecular formula C38H24BrN5 and a molecular weight of 630.55 g/mol. Its IUPAC name is 9-[3-bromo-5-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-bromo-5-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID155196000
Molecular FormulaC38H24BrN5
Molecular Weight630.55 g/mol
Exact Mass629.12
IUPAC Name9-[3-bromo-5-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESBrc1cc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccncc4)cc3)n2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C38H24BrN5/c39-30-22-29(23-31(24-30)44-34-12-6-4-10-32(34)33-11-5-7-13-35(33)44)38-42-36(27-8-2-1-3-9-27)41-37(43-38)28-16-14-25(15-17-28)26-18-20-40-21-19-26/h1-24H
InChIKeyHUPIKCOJHBFLSZ-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

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Related Compounds

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-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155708573
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-bromo-5-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]carbazole
CID 155195850
9-[3-bromo-5-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 155196015
9-[3-bromo-5-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 155195933
9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 118698991
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-phenyl-3-[10-[4-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]anthracen-9-yl]carbazole
CID 164843390
3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118699027
9-[4-[4-(4-bromophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 142751576

Frequently Asked Questions

What is the IUPAC name of 9-[3-bromo-5-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 9-[3-bromo-5-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (CID 155196000) is 9-[3-bromo-5-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-bromo-5-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-bromo-5-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is Brc1cc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccncc4)cc3)n2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[3-bromo-5-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is HUPIKCOJHBFLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24BrN5/c39-30-22-29(23-31(24-30)44-34-12-6-4-10-32(34)33-11-5-7-13-35(33)44)38-42-36(27-8-2-1-3-9-27)41-37(43-38)28-16-14-25(15-17-28)26-18-20-40-21-19-26/h1-24H.
What are the key properties of 9-[3-bromo-5-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
9-[3-bromo-5-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-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-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 155196000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).