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

C37H32N4 — CID 23527924

IUPAC3-butan-2-yl-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylaniline
SMILESCCC(C)c1cccc(N(c2ccccc2)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1
InChIInChI=1S/C37H32N4/c1-3-27(2)31-18-13-21-34(26-31)41(32-19-11-6-12-20-32)33-24-22-30(23-25-33)37-39-35(28-14-7-4-8-15-28)38-36(40-37)29-16-9-5-10-17-29/h4-27H,3H2,1-2H3
InChIKeyKYRLXFOPSQALDQ-UHFFFAOYSA-N
MW532.69 g/mol
LogP9.86
Rot. Bonds8

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

3-butan-2-yl-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylaniline (PubChem CID 23527924) has the molecular formula C37H32N4 and a molecular weight of 532.69 g/mol. Its IUPAC name is 3-butan-2-yl-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylaniline.

Molecular Properties

Compound Name3-butan-2-yl-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylaniline
PubChem CID23527924
Molecular FormulaC37H32N4
Molecular Weight532.69 g/mol
Exact Mass532.26
IUPAC Name3-butan-2-yl-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylaniline
SMILESCCC(C)c1cccc(N(c2ccccc2)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1
InChIInChI=1S/C37H32N4/c1-3-27(2)31-18-13-21-34(26-31)41(32-19-11-6-12-20-32)33-24-22-30(23-25-33)37-39-35(28-14-7-4-8-15-28)38-36(40-37)29-16-9-5-10-17-29/h4-27H,3H2,1-2H3
InChIKeyKYRLXFOPSQALDQ-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
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
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline
CID 132993147

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylaniline?
The IUPAC name of 3-butan-2-yl-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylaniline (CID 23527924) is 3-butan-2-yl-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylaniline.
What is the SMILES notation for 3-butan-2-yl-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylaniline?
The canonical SMILES for 3-butan-2-yl-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylaniline is CCC(C)c1cccc(N(c2ccccc2)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1.
What is the InChIKey of 3-butan-2-yl-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylaniline?
The InChIKey is KYRLXFOPSQALDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N4/c1-3-27(2)31-18-13-21-34(26-31)41(32-19-11-6-12-20-32)33-24-22-30(23-25-33)37-39-35(28-14-7-4-8-15-28)38-36(40-37)29-16-9-5-10-17-29/h4-27H,3H2,1-2H3.
What are the key properties of 3-butan-2-yl-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylaniline?
3-butan-2-yl-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylaniline 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 3-butan-2-yl-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylaniline is sourced from PubChem (CID 23527924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).