4-[4-(4-butan-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenylaniline

C37H32N4 — CID 23527961

IUPAC4-[4-(4-butan-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenylaniline
SMILESCCC(C)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C37H32N4/c1-3-27(2)28-19-21-30(22-20-28)36-38-35(29-13-7-4-8-14-29)39-37(40-36)31-23-25-34(26-24-31)41(32-15-9-5-10-16-32)33-17-11-6-12-18-33/h4-27H,3H2,1-2H3
InChIKeyQNXLHFRVVNYCAS-UHFFFAOYSA-N
MW532.69 g/mol
LogP9.86
Rot. Bonds8

About 4-[4-(4-butan-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenylaniline

4-[4-(4-butan-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenylaniline (PubChem CID 23527961) has the molecular formula C37H32N4 and a molecular weight of 532.69 g/mol. Its IUPAC name is 4-[4-(4-butan-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[4-(4-butan-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenylaniline
PubChem CID23527961
Molecular FormulaC37H32N4
Molecular Weight532.69 g/mol
Exact Mass532.26
IUPAC Name4-[4-(4-butan-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenylaniline
SMILESCCC(C)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C37H32N4/c1-3-27(2)28-19-21-30(22-20-28)36-38-35(29-13-7-4-8-14-29)39-37(40-36)31-23-25-34(26-24-31)41(32-15-9-5-10-16-32)33-17-11-6-12-18-33/h4-27H,3H2,1-2H3
InChIKeyQNXLHFRVVNYCAS-UHFFFAOYSA-N
XLogP9.86
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.69
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
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,4,6-triphenyl-1,3,5-triazin-2-amine
CID 35245
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
4-([1,1'-Biphenyl]-4-yl)-2,6-diphenylpyrimidine
CID 59188591
10-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine
CID 71007108
2-(4,6-diphenyl-1,3,5-triazine-2-yl)-N,N-di-p-tolylaniline
CID 132992977

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-butan-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[4-(4-butan-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenylaniline (CID 23527961) is 4-[4-(4-butan-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[4-(4-butan-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[4-(4-butan-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenylaniline is CCC(C)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)n2)cc1.
What is the InChIKey of 4-[4-(4-butan-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenylaniline?
The InChIKey is QNXLHFRVVNYCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N4/c1-3-27(2)28-19-21-30(22-20-28)36-38-35(29-13-7-4-8-14-29)39-37(40-36)31-23-25-34(26-24-31)41(32-15-9-5-10-16-32)33-17-11-6-12-18-33/h4-27H,3H2,1-2H3.
What are the key properties of 4-[4-(4-butan-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenylaniline?
4-[4-(4-butan-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenylaniline has a molecular weight of 532.69 g/mol, XLogP of 9.86, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-butan-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenylaniline is sourced from PubChem (CID 23527961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).