2-N,4-N-bis(4-bromophenyl)-2-N,4-N-bis(4-butan-2-ylphenyl)-6-phenyl-1,3,5-triazine-2,4-diamine

C41H39Br2N5 — CID 142075073

IUPAC2-N,4-N-bis(4-bromophenyl)-2-N,4-N-bis(4-butan-2-ylphenyl)-6-phenyl-1,3,5-triazine-2,4-diamine
SMILESCCC(C)c1ccc(N(c2ccc(Br)cc2)c2nc(-c3ccccc3)nc(N(c3ccc(Br)cc3)c3ccc(C(C)CC)cc3)n2)cc1
InChIInChI=1S/C41H39Br2N5/c1-5-28(3)30-12-20-35(21-13-30)47(37-24-16-33(42)17-25-37)40-44-39(32-10-8-7-9-11-32)45-41(46-40)48(38-26-18-34(43)19-27-38)36-22-14-31(15-23-36)29(4)6-2/h7-29H,5-6H2,1-4H3
InChIKeyFZCUGCWLURUZDQ-UHFFFAOYSA-N
MW761.61 g/mol
LogP13.03
Rot. Bonds11

About 2-N,4-N-bis(4-bromophenyl)-2-N,4-N-bis(4-butan-2-ylphenyl)-6-phenyl-1,3,5-triazine-2,4-diamine

2-N,4-N-bis(4-bromophenyl)-2-N,4-N-bis(4-butan-2-ylphenyl)-6-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 142075073) has the molecular formula C41H39Br2N5 and a molecular weight of 761.61 g/mol. Its IUPAC name is 2-N,4-N-bis(4-bromophenyl)-2-N,4-N-bis(4-butan-2-ylphenyl)-6-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(4-bromophenyl)-2-N,4-N-bis(4-butan-2-ylphenyl)-6-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID142075073
Molecular FormulaC41H39Br2N5
Molecular Weight761.61 g/mol
Exact Mass759.16
IUPAC Name2-N,4-N-bis(4-bromophenyl)-2-N,4-N-bis(4-butan-2-ylphenyl)-6-phenyl-1,3,5-triazine-2,4-diamine
SMILESCCC(C)c1ccc(N(c2ccc(Br)cc2)c2nc(-c3ccccc3)nc(N(c3ccc(Br)cc3)c3ccc(C(C)CC)cc3)n2)cc1
InChIInChI=1S/C41H39Br2N5/c1-5-28(3)30-12-20-35(21-13-30)47(37-24-16-33(42)17-25-37)40-44-39(32-10-8-7-9-11-32)45-41(46-40)48(38-26-18-34(43)19-27-38)36-22-14-31(15-23-36)29(4)6-2/h7-29H,5-6H2,1-4H3
InChIKeyFZCUGCWLURUZDQ-UHFFFAOYSA-N
XLogP13.03
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.61
LogP ≤ 513.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,6-diphenyl-1,3,5-triazine-2-yl)-N,N-di-p-tolylaniline
CID 132992977
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
benzylbenzene;2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]-N,N-diphenylaniline
CID 160450730
2-Diphenylamino-4,6-bis(3,5-dimethylphenyl)-sym-triazine
CID 12496985
4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-dimethylaniline
CID 102416897
4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-diphenylaniline
CID 102416901
10-(4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl)-9,9-dihexyl-9,10-dihydroacridine
CID 172907478
4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]-N,N-diphenylaniline
CID 157122679
4-[2-[4-[4,6-bis[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-N,N-diphenylaniline
CID 159877877
N,N-diphenyl-4-[1,1,1-trifluoro-2-[4-[4-phenyl-6-[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]propan-2-yl]aniline
CID 160480363
Benzenamine, 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-
CID 10205835
4-{4,6-Bis[4-(diphenylamino)phenyl]-1,3,5-triazin-2-yl}-N,N-diphenylaniline
CID 16141207

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(4-bromophenyl)-2-N,4-N-bis(4-butan-2-ylphenyl)-6-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(4-bromophenyl)-2-N,4-N-bis(4-butan-2-ylphenyl)-6-phenyl-1,3,5-triazine-2,4-diamine (CID 142075073) is 2-N,4-N-bis(4-bromophenyl)-2-N,4-N-bis(4-butan-2-ylphenyl)-6-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(4-bromophenyl)-2-N,4-N-bis(4-butan-2-ylphenyl)-6-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(4-bromophenyl)-2-N,4-N-bis(4-butan-2-ylphenyl)-6-phenyl-1,3,5-triazine-2,4-diamine is CCC(C)c1ccc(N(c2ccc(Br)cc2)c2nc(-c3ccccc3)nc(N(c3ccc(Br)cc3)c3ccc(C(C)CC)cc3)n2)cc1.
What is the InChIKey of 2-N,4-N-bis(4-bromophenyl)-2-N,4-N-bis(4-butan-2-ylphenyl)-6-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is FZCUGCWLURUZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H39Br2N5/c1-5-28(3)30-12-20-35(21-13-30)47(37-24-16-33(42)17-25-37)40-44-39(32-10-8-7-9-11-32)45-41(46-40)48(38-26-18-34(43)19-27-38)36-22-14-31(15-23-36)29(4)6-2/h7-29H,5-6H2,1-4H3.
What are the key properties of 2-N,4-N-bis(4-bromophenyl)-2-N,4-N-bis(4-butan-2-ylphenyl)-6-phenyl-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis(4-bromophenyl)-2-N,4-N-bis(4-butan-2-ylphenyl)-6-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 761.61 g/mol, XLogP of 13.03, 11 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-bromophenyl)-2-N,4-N-bis(4-butan-2-ylphenyl)-6-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 142075073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).