4-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline

C33H36N4 — CID 23527765

IUPAC4-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3nc(C4CCCCC4)nc(C4CCCCC4)n3)cc2)cc1
InChIInChI=1S/C33H36N4/c1-5-13-25(14-6-1)31-34-32(26-15-7-2-8-16-26)36-33(35-31)27-21-23-30(24-22-27)37(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h3-4,9-12,17-26H,1-2,5-8,13-16H2
InChIKeyQEOMDUXWVLMVAJ-UHFFFAOYSA-N
MW488.68 g/mol
LogP9.10
Rot. Bonds6

About 4-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline

4-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline (PubChem CID 23527765) has the molecular formula C33H36N4 and a molecular weight of 488.68 g/mol. Its IUPAC name is 4-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline
PubChem CID23527765
Molecular FormulaC33H36N4
Molecular Weight488.68 g/mol
Exact Mass488.29
IUPAC Name4-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3nc(C4CCCCC4)nc(C4CCCCC4)n3)cc2)cc1
InChIInChI=1S/C33H36N4/c1-5-13-25(14-6-1)31-34-32(26-15-7-2-8-16-26)36-33(35-31)27-21-23-30(24-22-27)37(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h3-4,9-12,17-26H,1-2,5-8,13-16H2
InChIKeyQEOMDUXWVLMVAJ-UHFFFAOYSA-N
XLogP9.10
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.68
LogP ≤ 59.10
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
4',4''',4'''''-(1,3,5-Triazine-2,4,6-triyl)tris([1,1'-biphenyl]-4-amine)
CID 154703059
N-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazin-2-amine
CID 89727494
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-Methyl-N,6-diphenyl-1,3,5-triazin-2-amine
CID 12610952
2,8,14-Tris(4-methylphenyl)-2,8,14,19,20,21-hexazatetracyclo[13.3.1.13,7.19,13]henicosa-1(19),3(21),4,6,9(20),10,12,15,17-nonaene
CID 16080115
10-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine
CID 71007108

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline (CID 23527765) is 4-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc(-c3nc(C4CCCCC4)nc(C4CCCCC4)n3)cc2)cc1.
What is the InChIKey of 4-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline?
The InChIKey is QEOMDUXWVLMVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4/c1-5-13-25(14-6-1)31-34-32(26-15-7-2-8-16-26)36-33(35-31)27-21-23-30(24-22-27)37(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h3-4,9-12,17-26H,1-2,5-8,13-16H2.
What are the key properties of 4-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline?
4-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline has a molecular weight of 488.68 g/mol, XLogP of 9.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline is sourced from PubChem (CID 23527765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).