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

C37H23BrN6 — CID 155708573

IUPAC9-[3-bromo-5-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESBrc1cc(-c2nc(-c3ccncc3)nc(-c3ccc(-c4ccncc4)cc3)n2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C37H23BrN6/c38-29-21-28(22-30(23-29)44-33-7-3-1-5-31(33)32-6-2-4-8-34(32)44)37-42-35(41-36(43-37)27-15-19-40-20-16-27)26-11-9-24(10-12-26)25-13-17-39-18-14-25/h1-23H
InChIKeyPELDGKXZTMUGTG-UHFFFAOYSA-N
MW631.54 g/mol
LogP9.19
Rot. Bonds5

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

9-[3-bromo-5-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 155708573) has the molecular formula C37H23BrN6 and a molecular weight of 631.54 g/mol. Its IUPAC name is 9-[3-bromo-5-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-bromo-5-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID155708573
Molecular FormulaC37H23BrN6
Molecular Weight631.54 g/mol
Exact Mass630.12
IUPAC Name9-[3-bromo-5-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESBrc1cc(-c2nc(-c3ccncc3)nc(-c3ccc(-c4ccncc4)cc3)n2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C37H23BrN6/c38-29-21-28(22-30(23-29)44-33-7-3-1-5-31(33)32-6-2-4-8-34(32)44)37-42-35(41-36(43-37)27-15-19-40-20-16-27)26-11-9-24(10-12-26)25-13-17-39-18-14-25/h1-23H
InChIKeyPELDGKXZTMUGTG-UHFFFAOYSA-N
XLogP9.19
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.54
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-[4-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155708582
9-[3-bromo-5-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 155196015
9-[3-bromo-5-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]carbazole
CID 155195850
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-[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-[6-(4-phenylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 130465926
2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 155708578
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-phenyl-3-[10-[4-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]anthracen-9-yl]carbazole
CID 164843390

Frequently Asked Questions

What is the IUPAC name of 9-[3-bromo-5-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 9-[3-bromo-5-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (CID 155708573) is 9-[3-bromo-5-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-bromo-5-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-bromo-5-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is Brc1cc(-c2nc(-c3ccncc3)nc(-c3ccc(-c4ccncc4)cc3)n2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[3-bromo-5-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is PELDGKXZTMUGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23BrN6/c38-29-21-28(22-30(23-29)44-33-7-3-1-5-31(33)32-6-2-4-8-34(32)44)37-42-35(41-36(43-37)27-15-19-40-20-16-27)26-11-9-24(10-12-26)25-13-17-39-18-14-25/h1-23H.
What are the key properties of 9-[3-bromo-5-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
9-[3-bromo-5-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 631.54 g/mol, XLogP of 9.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-bromo-5-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 155708573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).