2-N-(4-methoxyphenyl)-6-N-methyl-4-N-(4-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine

C36H32N6O — CID 59685810

IUPAC2-N-(4-methoxyphenyl)-6-N-methyl-4-N-(4-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(N(c2ccccc2)c2nc(N(C)c3ccccc3)nc(N(c3ccccc3)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C36H32N6O/c1-27-19-21-31(22-20-27)41(29-15-9-5-10-16-29)35-37-34(40(2)28-13-7-4-8-14-28)38-36(39-35)42(30-17-11-6-12-18-30)32-23-25-33(43-3)26-24-32/h4-26H,1-3H3
InChIKeyNCQQXEDQFWEOPQ-UHFFFAOYSA-N
MW564.69 g/mol
LogP8.90
Rot. Bonds9

About 2-N-(4-methoxyphenyl)-6-N-methyl-4-N-(4-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine

2-N-(4-methoxyphenyl)-6-N-methyl-4-N-(4-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 59685810) has the molecular formula C36H32N6O and a molecular weight of 564.69 g/mol. Its IUPAC name is 2-N-(4-methoxyphenyl)-6-N-methyl-4-N-(4-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(4-methoxyphenyl)-6-N-methyl-4-N-(4-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine
PubChem CID59685810
Molecular FormulaC36H32N6O
Molecular Weight564.69 g/mol
Exact Mass564.26
IUPAC Name2-N-(4-methoxyphenyl)-6-N-methyl-4-N-(4-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(N(c2ccccc2)c2nc(N(C)c3ccccc3)nc(N(c3ccccc3)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C36H32N6O/c1-27-19-21-31(22-20-27)41(29-15-9-5-10-16-29)35-37-34(40(2)28-13-7-4-8-14-28)38-36(39-35)42(30-17-11-6-12-18-30)32-23-25-33(43-3)26-24-32/h4-26H,1-3H3
InChIKeyNCQQXEDQFWEOPQ-UHFFFAOYSA-N
XLogP8.90
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.69
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-N-(4-methoxyphenyl)-6-N-methyl-4-N-(4-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
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-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 59431689
1-N-methyl-4-N-[4-(N-(4-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 58038448
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;3-methoxy-N-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;hydrate
CID 161136163
N-[4-[4-(N-methylanilino)phenoxy]phenyl]-4-(4-methylphenyl)-N-phenylaniline
CID 23593163
4,6-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]-N,N-bis(4-methylphenyl)-1,3,5-triazin-2-amine
CID 59533037
1-N,4-N-bis[4-(4-methoxy-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59738736

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxyphenyl)-6-N-methyl-4-N-(4-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(4-methoxyphenyl)-6-N-methyl-4-N-(4-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine (CID 59685810) is 2-N-(4-methoxyphenyl)-6-N-methyl-4-N-(4-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(4-methoxyphenyl)-6-N-methyl-4-N-(4-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(4-methoxyphenyl)-6-N-methyl-4-N-(4-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine is COc1ccc(N(c2ccccc2)c2nc(N(C)c3ccccc3)nc(N(c3ccccc3)c3ccc(C)cc3)n2)cc1.
What is the InChIKey of 2-N-(4-methoxyphenyl)-6-N-methyl-4-N-(4-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is NCQQXEDQFWEOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N6O/c1-27-19-21-31(22-20-27)41(29-15-9-5-10-16-29)35-37-34(40(2)28-13-7-4-8-14-28)38-36(39-35)42(30-17-11-6-12-18-30)32-23-25-33(43-3)26-24-32/h4-26H,1-3H3.
What are the key properties of 2-N-(4-methoxyphenyl)-6-N-methyl-4-N-(4-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine?
2-N-(4-methoxyphenyl)-6-N-methyl-4-N-(4-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 564.69 g/mol, XLogP of 8.90, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxyphenyl)-6-N-methyl-4-N-(4-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 59685810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).