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

C33H21BrN4 — CID 175101283

IUPAC3-bromo-9-[3-[4-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ncnc(-c3ccc(-c4ccccc4)cc3)n2)c1
InChIInChI=1S/C33H21BrN4/c34-26-17-18-31-29(20-26)28-11-4-5-12-30(28)38(31)27-10-6-9-25(19-27)33-36-21-35-32(37-33)24-15-13-23(14-16-24)22-7-2-1-3-8-22/h1-21H
InChIKeyFLYODOXULCDVBS-UHFFFAOYSA-N
MW553.46 g/mol
LogP8.73
Rot. Bonds4

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

3-bromo-9-[3-[4-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 175101283) has the molecular formula C33H21BrN4 and a molecular weight of 553.46 g/mol. Its IUPAC name is 3-bromo-9-[3-[4-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name3-bromo-9-[3-[4-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID175101283
Molecular FormulaC33H21BrN4
Molecular Weight553.46 g/mol
Exact Mass552.09
IUPAC Name3-bromo-9-[3-[4-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ncnc(-c3ccc(-c4ccccc4)cc3)n2)c1
InChIInChI=1S/C33H21BrN4/c34-26-17-18-31-29(20-26)28-11-4-5-12-30(28)38(31)27-10-6-9-25(19-27)33-36-21-35-32(37-33)24-15-13-23(14-16-24)22-7-2-1-3-8-22/h1-21H
InChIKeyFLYODOXULCDVBS-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-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 58511626
3-phenyl-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 174243912
9-[3-[4-[3-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901387
9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 153208818
9-[3-[4-(3-bromophenyl)-6-(3-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 141480105
3-bromo-9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole
CID 90177181
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 71287197
3-(9-phenylcarbazol-3-yl)-9-[3-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236877
6-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[2,3-b]indole
CID 129221585
3-carbazol-9-yl-9-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146828085
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158317836
3-(3-carbazol-9-ylphenyl)-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 58943700

Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-[3-[4-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 3-bromo-9-[3-[4-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (CID 175101283) is 3-bromo-9-[3-[4-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 3-bromo-9-[3-[4-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 3-bromo-9-[3-[4-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is Brc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ncnc(-c3ccc(-c4ccccc4)cc3)n2)c1.
What is the InChIKey of 3-bromo-9-[3-[4-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is FLYODOXULCDVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21BrN4/c34-26-17-18-31-29(20-26)28-11-4-5-12-30(28)38(31)27-10-6-9-25(19-27)33-36-21-35-32(37-33)24-15-13-23(14-16-24)22-7-2-1-3-8-22/h1-21H.
What are the key properties of 3-bromo-9-[3-[4-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
3-bromo-9-[3-[4-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]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 3-bromo-9-[3-[4-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 175101283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).