6-chloro-4-N-(3,4-dimethylphenyl)-2-N-(3-methylphenyl)-2-N-(4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine

C31H28ClN5 — CID 59533025

IUPAC6-chloro-4-N-(3,4-dimethylphenyl)-2-N-(3-methylphenyl)-2-N-(4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(N(c2cccc(C)c2)c2nc(Cl)nc(N(c3ccccc3)c3ccc(C)c(C)c3)n2)cc1
InChIInChI=1S/C31H28ClN5/c1-21-13-16-26(17-14-21)37(27-12-8-9-22(2)19-27)31-34-29(32)33-30(35-31)36(25-10-6-5-7-11-25)28-18-15-23(3)24(4)20-28/h5-20H,1-4H3
InChIKeyWRXUWOPYYPSUIE-UHFFFAOYSA-N
MW506.05 g/mol
LogP8.70
Rot. Bonds6

About 6-chloro-4-N-(3,4-dimethylphenyl)-2-N-(3-methylphenyl)-2-N-(4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine

6-chloro-4-N-(3,4-dimethylphenyl)-2-N-(3-methylphenyl)-2-N-(4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 59533025) has the molecular formula C31H28ClN5 and a molecular weight of 506.05 g/mol. Its IUPAC name is 6-chloro-4-N-(3,4-dimethylphenyl)-2-N-(3-methylphenyl)-2-N-(4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(3,4-dimethylphenyl)-2-N-(3-methylphenyl)-2-N-(4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID59533025
Molecular FormulaC31H28ClN5
Molecular Weight506.05 g/mol
Exact Mass505.20
IUPAC Name6-chloro-4-N-(3,4-dimethylphenyl)-2-N-(3-methylphenyl)-2-N-(4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(N(c2cccc(C)c2)c2nc(Cl)nc(N(c3ccccc3)c3ccc(C)c(C)c3)n2)cc1
InChIInChI=1S/C31H28ClN5/c1-21-13-16-26(17-14-21)37(27-12-8-9-22(2)19-27)31-34-29(32)33-30(35-31)36(25-10-6-5-7-11-25)28-18-15-23(3)24(4)20-28/h5-20H,1-4H3
InChIKeyWRXUWOPYYPSUIE-UHFFFAOYSA-N
XLogP8.70
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.05
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-4-N-(3,4-dimethylphenyl)-2-N-(3-methylphenyl)-2-N-(4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;3,5-dimethylphenol;6-(3,5-dimethylphenoxy)-2-N,2-N,4-N,4-N-tetrakis(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 159517173
9-N,9-N,10-N,10-N-tetrakis(3,4-dimethylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine
CID 158542948
2,5-dimethyl-N-(3-methylphenyl)-N-phenylaniline
CID 58932053
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
1-N,3-N-bis[4-(N-(3,4-dimethylphenyl)anilino)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,4-N-bis[4-(N-(3-ethoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,3-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-bis(4-methylphenyl)-1-N,3-N-bis[4-(N-(4-methylphenyl)anilino)phenyl]benzene-1,3-diamine;1-N,3-N-bis(4-methylphenyl)-1-N,3-N-bis[4-(N-phenylanilino)phenyl]benzene-1,3-diamine;3-N-(3-methylphenyl)-1-N-phenyl-1-N,3-N-bis[4-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 159029293
methane;3-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 158674972
N-[4-[4-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]phenyl]phenyl]-3,4-dimethyl-N-phenylaniline
CID 137434908
3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468
3-methyl-N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58711214
2-N,2-N,4-N,4-N,6-N,6-N-hexakis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 23557767
4-methyl-N,N-diphenylaniline;3-methyl-N-(3-methylphenyl)-N-(4-methylphenyl)aniline;N-methyl-N-phenylaniline;4-N-(4-methylphenyl)-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 160844016
4,6-dichloro-N-methyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 55124750

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(3,4-dimethylphenyl)-2-N-(3-methylphenyl)-2-N-(4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(3,4-dimethylphenyl)-2-N-(3-methylphenyl)-2-N-(4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine (CID 59533025) is 6-chloro-4-N-(3,4-dimethylphenyl)-2-N-(3-methylphenyl)-2-N-(4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(3,4-dimethylphenyl)-2-N-(3-methylphenyl)-2-N-(4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(3,4-dimethylphenyl)-2-N-(3-methylphenyl)-2-N-(4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine is Cc1ccc(N(c2cccc(C)c2)c2nc(Cl)nc(N(c3ccccc3)c3ccc(C)c(C)c3)n2)cc1.
What is the InChIKey of 6-chloro-4-N-(3,4-dimethylphenyl)-2-N-(3-methylphenyl)-2-N-(4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is WRXUWOPYYPSUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28ClN5/c1-21-13-16-26(17-14-21)37(27-12-8-9-22(2)19-27)31-34-29(32)33-30(35-31)36(25-10-6-5-7-11-25)28-18-15-23(3)24(4)20-28/h5-20H,1-4H3.
What are the key properties of 6-chloro-4-N-(3,4-dimethylphenyl)-2-N-(3-methylphenyl)-2-N-(4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-(3,4-dimethylphenyl)-2-N-(3-methylphenyl)-2-N-(4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 506.05 g/mol, XLogP of 8.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(3,4-dimethylphenyl)-2-N-(3-methylphenyl)-2-N-(4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 59533025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).