2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)aniline

C35H28N4 — CID 132992977

IUPAC2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C35H28N4/c1-25-17-21-29(22-18-25)39(30-23-19-26(2)20-24-30)32-16-10-9-15-31(32)35-37-33(27-11-5-3-6-12-27)36-34(38-35)28-13-7-4-8-14-28/h3-24H,1-2H3
InChIKeyQMTHPJNMRRACEO-UHFFFAOYSA-N
MW504.64 g/mol
LogP8.96
Rot. Bonds6

About 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)aniline

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)aniline (PubChem CID 132992977) has the molecular formula C35H28N4 and a molecular weight of 504.64 g/mol. Its IUPAC name is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)aniline.

Molecular Properties

Compound Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)aniline
PubChem CID132992977
Molecular FormulaC35H28N4
Molecular Weight504.64 g/mol
Exact Mass504.23
IUPAC Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C35H28N4/c1-25-17-21-29(22-18-25)39(30-23-19-26(2)20-24-30)32-16-10-9-15-31(32)35-37-33(27-11-5-3-6-12-27)36-34(38-35)28-13-7-4-8-14-28/h3-24H,1-2H3
InChIKeyQMTHPJNMRRACEO-UHFFFAOYSA-N
XLogP8.96
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.64
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)aniline?
The IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)aniline (CID 132992977) is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)aniline.
What is the SMILES notation for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)aniline?
The canonical SMILES for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)aniline?
The InChIKey is QMTHPJNMRRACEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N4/c1-25-17-21-29(22-18-25)39(30-23-19-26(2)20-24-30)32-16-10-9-15-31(32)35-37-33(27-11-5-3-6-12-27)36-34(38-35)28-13-7-4-8-14-28/h3-24H,1-2H3.
What are the key properties of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)aniline?
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)aniline has a molecular weight of 504.64 g/mol, XLogP of 8.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)aniline is sourced from PubChem (CID 132992977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).