N-(4-bromophenyl)-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazin-2-amine

C36H24BrN7 — CID 67294194

IUPACN-(4-bromophenyl)-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazin-2-amine
SMILESBrc1ccc(N(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C36H24BrN7/c37-29-21-23-30(24-22-29)44(35-40-31(25-13-5-1-6-14-25)38-32(41-35)26-15-7-2-8-16-26)36-42-33(27-17-9-3-10-18-27)39-34(43-36)28-19-11-4-12-20-28/h1-24H
InChIKeyZRQPUVBHMPYLGQ-UHFFFAOYSA-N
MW634.54 g/mol
LogP8.96
Rot. Bonds7

About N-(4-bromophenyl)-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazin-2-amine

N-(4-bromophenyl)-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazin-2-amine (PubChem CID 67294194) has the molecular formula C36H24BrN7 and a molecular weight of 634.54 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazin-2-amine
PubChem CID67294194
Molecular FormulaC36H24BrN7
Molecular Weight634.54 g/mol
Exact Mass633.13
IUPAC NameN-(4-bromophenyl)-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazin-2-amine
SMILESBrc1ccc(N(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C36H24BrN7/c37-29-21-23-30(24-22-29)44(35-40-31(25-13-5-1-6-14-25)38-32(41-35)26-15-7-2-8-16-26)36-42-33(27-17-9-3-10-18-27)39-34(43-36)28-19-11-4-12-20-28/h1-24H
InChIKeyZRQPUVBHMPYLGQ-UHFFFAOYSA-N
XLogP8.96
TPSA80.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.54
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-bromophenyl)-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazin-2-amine (CID 67294194) is N-(4-bromophenyl)-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-bromophenyl)-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-bromophenyl)-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazin-2-amine is Brc1ccc(N(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-(4-bromophenyl)-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazin-2-amine?
The InChIKey is ZRQPUVBHMPYLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24BrN7/c37-29-21-23-30(24-22-29)44(35-40-31(25-13-5-1-6-14-25)38-32(41-35)26-15-7-2-8-16-26)36-42-33(27-17-9-3-10-18-27)39-34(43-36)28-19-11-4-12-20-28/h1-24H.
What are the key properties of N-(4-bromophenyl)-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazin-2-amine?
N-(4-bromophenyl)-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazin-2-amine has a molecular weight of 634.54 g/mol, XLogP of 8.96, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 67294194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).