2-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole

C31H19BrN4 — CID 90276321

IUPAC2-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
SMILESBrc1ccc2c(c1)c1cc3ccccc3cc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C31H19BrN4/c32-24-15-16-27-26(19-24)25-17-22-13-7-8-14-23(22)18-28(25)36(27)31-34-29(20-9-3-1-4-10-20)33-30(35-31)21-11-5-2-6-12-21/h1-19H
InChIKeyFCKCYAQGNRBACL-UHFFFAOYSA-N
MW527.43 g/mol
LogP8.22
Rot. Bonds3

About 2-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole

2-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole (PubChem CID 90276321) has the molecular formula C31H19BrN4 and a molecular weight of 527.43 g/mol. Its IUPAC name is 2-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name2-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
PubChem CID90276321
Molecular FormulaC31H19BrN4
Molecular Weight527.43 g/mol
Exact Mass526.08
IUPAC Name2-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
SMILESBrc1ccc2c(c1)c1cc3ccccc3cc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C31H19BrN4/c32-24-15-16-27-26(19-24)25-17-22-13-7-8-14-23(22)18-28(25)36(27)31-34-29(20-9-3-1-4-10-20)33-30(35-31)21-11-5-2-6-12-21/h1-19H
InChIKeyFCKCYAQGNRBACL-UHFFFAOYSA-N
XLogP8.22
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.43
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole?
The IUPAC name of 2-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole (CID 90276321) is 2-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole.
What is the SMILES notation for 2-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole?
The canonical SMILES for 2-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole is Brc1ccc2c(c1)c1cc3ccccc3cc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole?
The InChIKey is FCKCYAQGNRBACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19BrN4/c32-24-15-16-27-26(19-24)25-17-22-13-7-8-14-23(22)18-28(25)36(27)31-34-29(20-9-3-1-4-10-20)33-30(35-31)21-11-5-2-6-12-21/h1-19H.
What are the key properties of 2-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole?
2-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole has a molecular weight of 527.43 g/mol, XLogP of 8.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole is sourced from PubChem (CID 90276321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).