2-N,4-N-bis(4-tert-butylphenyl)-2-N,4-N-bis(4-fluorophenyl)-6-phenyl-1,3,5-triazine-2,4-diamine

C41H39F2N5 — CID 142075069

IUPAC2-N,4-N-bis(4-tert-butylphenyl)-2-N,4-N-bis(4-fluorophenyl)-6-phenyl-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(F)cc2)c2nc(-c3ccccc3)nc(N(c3ccc(F)cc3)c3ccc(C(C)(C)C)cc3)n2)cc1
InChIInChI=1S/C41H39F2N5/c1-40(2,3)29-12-20-33(21-13-29)47(35-24-16-31(42)17-25-35)38-44-37(28-10-8-7-9-11-28)45-39(46-38)48(36-26-18-32(43)19-27-36)34-22-14-30(15-23-34)41(4,5)6/h7-27H,1-6H3
InChIKeyDRVLDSLKZSLRDC-UHFFFAOYSA-N
MW639.79 g/mol
LogP11.35
Rot. Bonds7

About 2-N,4-N-bis(4-tert-butylphenyl)-2-N,4-N-bis(4-fluorophenyl)-6-phenyl-1,3,5-triazine-2,4-diamine

2-N,4-N-bis(4-tert-butylphenyl)-2-N,4-N-bis(4-fluorophenyl)-6-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 142075069) has the molecular formula C41H39F2N5 and a molecular weight of 639.79 g/mol. Its IUPAC name is 2-N,4-N-bis(4-tert-butylphenyl)-2-N,4-N-bis(4-fluorophenyl)-6-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(4-tert-butylphenyl)-2-N,4-N-bis(4-fluorophenyl)-6-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID142075069
Molecular FormulaC41H39F2N5
Molecular Weight639.79 g/mol
Exact Mass639.32
IUPAC Name2-N,4-N-bis(4-tert-butylphenyl)-2-N,4-N-bis(4-fluorophenyl)-6-phenyl-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(F)cc2)c2nc(-c3ccccc3)nc(N(c3ccc(F)cc3)c3ccc(C(C)(C)C)cc3)n2)cc1
InChIInChI=1S/C41H39F2N5/c1-40(2,3)29-12-20-33(21-13-29)47(35-24-16-31(42)17-25-35)38-44-37(28-10-8-7-9-11-28)45-39(46-38)48(36-26-18-32(43)19-27-36)34-22-14-30(15-23-34)41(4,5)6/h7-27H,1-6H3
InChIKeyDRVLDSLKZSLRDC-UHFFFAOYSA-N
XLogP11.35
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.79
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
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
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
10-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]phenoselenazine
CID 153436698
10-[3-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylacridine
CID 156062187
14-[4-[4,6-Bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 23527824

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(4-tert-butylphenyl)-2-N,4-N-bis(4-fluorophenyl)-6-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(4-tert-butylphenyl)-2-N,4-N-bis(4-fluorophenyl)-6-phenyl-1,3,5-triazine-2,4-diamine (CID 142075069) is 2-N,4-N-bis(4-tert-butylphenyl)-2-N,4-N-bis(4-fluorophenyl)-6-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(4-tert-butylphenyl)-2-N,4-N-bis(4-fluorophenyl)-6-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(4-tert-butylphenyl)-2-N,4-N-bis(4-fluorophenyl)-6-phenyl-1,3,5-triazine-2,4-diamine is CC(C)(C)c1ccc(N(c2ccc(F)cc2)c2nc(-c3ccccc3)nc(N(c3ccc(F)cc3)c3ccc(C(C)(C)C)cc3)n2)cc1.
What is the InChIKey of 2-N,4-N-bis(4-tert-butylphenyl)-2-N,4-N-bis(4-fluorophenyl)-6-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is DRVLDSLKZSLRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H39F2N5/c1-40(2,3)29-12-20-33(21-13-29)47(35-24-16-31(42)17-25-35)38-44-37(28-10-8-7-9-11-28)45-39(46-38)48(36-26-18-32(43)19-27-36)34-22-14-30(15-23-34)41(4,5)6/h7-27H,1-6H3.
What are the key properties of 2-N,4-N-bis(4-tert-butylphenyl)-2-N,4-N-bis(4-fluorophenyl)-6-phenyl-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis(4-tert-butylphenyl)-2-N,4-N-bis(4-fluorophenyl)-6-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 639.79 g/mol, XLogP of 11.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(4-tert-butylphenyl)-2-N,4-N-bis(4-fluorophenyl)-6-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 142075069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).