2-(4-bromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

C33H21BrN4 — CID 163781503

IUPAC2-(4-bromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
SMILESBrc1ccc(-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1
InChIInChI=1S/C33H21BrN4/c34-26-18-15-22(16-19-26)25-17-20-28-27-13-7-8-14-29(27)38(30(28)21-25)33-36-31(23-9-3-1-4-10-23)35-32(37-33)24-11-5-2-6-12-24/h1-21H
InChIKeyMOYOIGNRJMFJRM-UHFFFAOYSA-N
MW553.46 g/mol
LogP8.73
Rot. Bonds4

About 2-(4-bromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

2-(4-bromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 163781503) has the molecular formula C33H21BrN4 and a molecular weight of 553.46 g/mol. Its IUPAC name is 2-(4-bromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
PubChem CID163781503
Molecular FormulaC33H21BrN4
Molecular Weight553.46 g/mol
Exact Mass552.09
IUPAC Name2-(4-bromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
SMILESBrc1ccc(-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1
InChIInChI=1S/C33H21BrN4/c34-26-18-15-22(16-19-26)25-17-20-28-27-13-7-8-14-29(27)38(30(28)21-25)33-36-31(23-9-3-1-4-10-23)35-32(37-33)24-11-5-2-6-12-24/h1-21H
InChIKeyMOYOIGNRJMFJRM-UHFFFAOYSA-N
XLogP8.73
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.46
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-carbazol-9-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742506
1-bromo-4-phenylbenzene;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 161278194
9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(3-triphenylen-2-ylphenyl)carbazole
CID 129197250
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylcarbazole
CID 126580254
9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491413
9-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2,7-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole
CID 88878720
9-[4-carbazol-9-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742588
9-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 176831267
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(2-phenylphenyl)carbazole
CID 142377778
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis(2-phenylcarbazol-9-yl)carbazole;ethane
CID 144659402
9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 142377805
9-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 171438085

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The IUPAC name of 2-(4-bromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (CID 163781503) is 2-(4-bromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.
What is the SMILES notation for 2-(4-bromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The canonical SMILES for 2-(4-bromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is Brc1ccc(-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The InChIKey is MOYOIGNRJMFJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21BrN4/c34-26-18-15-22(16-19-26)25-17-20-28-27-13-7-8-14-29(27)38(30(28)21-25)33-36-31(23-9-3-1-4-10-23)35-32(37-33)24-11-5-2-6-12-24/h1-21H.
What are the key properties of 2-(4-bromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
2-(4-bromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 553.46 g/mol, XLogP of 8.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 163781503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).