4-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-N,N-diphenylaniline

C39H36N4 — CID 23527762

IUPAC4-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-N,N-diphenylaniline
SMILESCc1cc(C)c(-c2nc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc(-c3c(C)cc(C)cc3C)n2)c(C)c1
InChIInChI=1S/C39H36N4/c1-25-21-27(3)35(28(4)22-25)38-40-37(41-39(42-38)36-29(5)23-26(2)24-30(36)6)31-17-19-34(20-18-31)43(32-13-9-7-10-14-32)33-15-11-8-12-16-33/h7-24H,1-6H3
InChIKeyCMMAZSILNHBLCF-UHFFFAOYSA-N
MW560.75 g/mol
LogP10.19
Rot. Bonds6

About 4-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-N,N-diphenylaniline

4-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-N,N-diphenylaniline (PubChem CID 23527762) has the molecular formula C39H36N4 and a molecular weight of 560.75 g/mol. Its IUPAC name is 4-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-N,N-diphenylaniline
PubChem CID23527762
Molecular FormulaC39H36N4
Molecular Weight560.75 g/mol
Exact Mass560.29
IUPAC Name4-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-N,N-diphenylaniline
SMILESCc1cc(C)c(-c2nc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc(-c3c(C)cc(C)cc3C)n2)c(C)c1
InChIInChI=1S/C39H36N4/c1-25-21-27(3)35(28(4)22-25)38-40-37(41-39(42-38)36-29(5)23-26(2)24-30(36)6)31-17-19-34(20-18-31)43(32-13-9-7-10-14-32)33-15-11-8-12-16-33/h7-24H,1-6H3
InChIKeyCMMAZSILNHBLCF-UHFFFAOYSA-N
XLogP10.19
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.75
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-(4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl)-9,9-dimethyl-9,10-dihydroacridine
CID 118528399
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-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]anilino]phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]aniline
CID 102416899
N-[4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]anilino]phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]aniline
CID 139251198
N-[2,6-di(propan-2-yl)phenyl]-1-[2-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]-6-methylpyrimidin-4-yl]-1-phenylmethanimine
CID 12091397
10-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine
CID 71007108
3-(4-Tert-butylphenyl)-5-[2-(3,5-dimethylphenyl)-4-phenylphenyl]-4-phenyl-1,2,4-triazole
CID 132472652
3-[4-Tert-butyl-2-(3,5-dimethylphenyl)phenyl]-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole
CID 132472657
[TAZ]-bis[5-m-xylene]
CID 132472660
2-(4,6-diphenyl-1,3,5-triazine-2-yl)-N,N-di-p-tolylaniline
CID 132992977
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline
CID 132993147

Frequently Asked Questions

What is the IUPAC name of 4-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-N,N-diphenylaniline (CID 23527762) is 4-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-N,N-diphenylaniline is Cc1cc(C)c(-c2nc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc(-c3c(C)cc(C)cc3C)n2)c(C)c1.
What is the InChIKey of 4-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-N,N-diphenylaniline?
The InChIKey is CMMAZSILNHBLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H36N4/c1-25-21-27(3)35(28(4)22-25)38-40-37(41-39(42-38)36-29(5)23-26(2)24-30(36)6)31-17-19-34(20-18-31)43(32-13-9-7-10-14-32)33-15-11-8-12-16-33/h7-24H,1-6H3.
What are the key properties of 4-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-N,N-diphenylaniline?
4-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-N,N-diphenylaniline has a molecular weight of 560.75 g/mol, XLogP of 10.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-N,N-diphenylaniline is sourced from PubChem (CID 23527762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).