10-bromo-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole

C31H19BrN4 — CID 90276311

IUPAC10-bromo-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
SMILESBrc1ccc2c(c1)c1c3ccccc3ccc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C31H19BrN4/c32-23-16-18-26-25(19-23)28-24-14-8-7-9-20(24)15-17-27(28)36(26)31-34-29(21-10-3-1-4-11-21)33-30(35-31)22-12-5-2-6-13-22/h1-19H
InChIKeyKWIYFTSWEQQYSF-UHFFFAOYSA-N
MW527.43 g/mol
LogP8.22
Rot. Bonds3

About 10-bromo-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole

10-bromo-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole (PubChem CID 90276311) has the molecular formula C31H19BrN4 and a molecular weight of 527.43 g/mol. Its IUPAC name is 10-bromo-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name10-bromo-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
PubChem CID90276311
Molecular FormulaC31H19BrN4
Molecular Weight527.43 g/mol
Exact Mass526.08
IUPAC Name10-bromo-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
SMILESBrc1ccc2c(c1)c1c3ccccc3ccc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C31H19BrN4/c32-23-16-18-26-25(19-23)28-24-14-8-7-9-20(24)15-17-27(28)36(26)31-34-29(21-10-3-1-4-11-21)33-30(35-31)22-12-5-2-6-13-22/h1-19H
InChIKeyKWIYFTSWEQQYSF-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 10-bromo-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole?
The IUPAC name of 10-bromo-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole (CID 90276311) is 10-bromo-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole.
What is the SMILES notation for 10-bromo-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole?
The canonical SMILES for 10-bromo-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole is Brc1ccc2c(c1)c1c3ccccc3ccc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 10-bromo-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole?
The InChIKey is KWIYFTSWEQQYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19BrN4/c32-23-16-18-26-25(19-23)28-24-14-8-7-9-20(24)15-17-27(28)36(26)31-34-29(21-10-3-1-4-11-21)33-30(35-31)22-12-5-2-6-13-22/h1-19H.
What are the key properties of 10-bromo-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole?
10-bromo-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]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 10-bromo-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole is sourced from PubChem (CID 90276311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).