N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-N-(4-methylphenyl)aniline

C35H28N4 — CID 23527919

IUPACN-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C35H28N4/c1-25-13-19-30(20-14-25)39(31-21-15-26(2)16-22-31)32-23-17-29(18-24-32)35-37-33(27-9-5-3-6-10-27)36-34(38-35)28-11-7-4-8-12-28/h3-24H,1-2H3
InChIKeyGKQSRSOPQKCLRZ-UHFFFAOYSA-N
MW504.64 g/mol
LogP8.96
Rot. Bonds6

About N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-N-(4-methylphenyl)aniline

N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 23527919) has the molecular formula C35H28N4 and a molecular weight of 504.64 g/mol. Its IUPAC name is N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-N-(4-methylphenyl)aniline
PubChem CID23527919
Molecular FormulaC35H28N4
Molecular Weight504.64 g/mol
Exact Mass504.23
IUPAC NameN-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C35H28N4/c1-25-13-19-30(20-14-25)39(31-21-15-26(2)16-22-31)32-23-17-29(18-24-32)35-37-33(27-9-5-3-6-10-27)36-34(38-35)28-11-7-4-8-12-28/h3-24H,1-2H3
InChIKeyGKQSRSOPQKCLRZ-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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Related Compounds

6-[4-(dimethylamino)phenyl]-2-N-(2-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 168298662
2,4,6-Tris(4-aminophenyl)-1,3,5-triazine
CID 1515256
10-(4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl)-9,9-dimethyl-9,10-dihydroacridine
CID 118528399
(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-[4-(N-phenylanilino)phenyl]prop-2-enenitrile
CID 16378623
N-(4-methylphenyl)-4-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine
CID 25256950
5-(Diphenylamino)-2,3-diphenyl-1,2,4-thiadiazol-2-ium
CID 1600541
2-N-tert-butyl-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine
CID 89706269
10-(4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl)-10H-spiro(acridine-9,9'-fluorene)
CID 132099800
4',4''',4'''''-(1,3,5-Triazine-2,4,6-triyl)tris([1,1'-biphenyl]-4-amine)
CID 154703059
4-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-N,N-dimethylaniline
CID 4594014
4-[4-(Dimethylamino)phenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 90645156
N-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazin-2-amine
CID 89727494

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-N-(4-methylphenyl)aniline (CID 23527919) is N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-N-(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is GKQSRSOPQKCLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N4/c1-25-13-19-30(20-14-25)39(31-21-15-26(2)16-22-31)32-23-17-29(18-24-32)35-37-33(27-9-5-3-6-10-27)36-34(38-35)28-11-7-4-8-12-28/h3-24H,1-2H3.
What are the key properties of N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-N-(4-methylphenyl)aniline?
N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-N-(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 N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 23527919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).