4-N-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(2,4,6-trimethoxyphenyl)benzene-1,4-diamine

C38H40N2O5 — CID 134339163

IUPAC4-N-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(2,4,6-trimethoxyphenyl)benzene-1,4-diamine
SMILESCOc1cc(C)c(N(c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c2c(OC)cc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C38H40N2O5/c1-25-9-13-28(14-10-25)39(29-15-11-26(2)12-16-29)30-17-19-31(20-18-30)40(37-27(3)21-32(41-4)22-34(37)43-6)38-35(44-7)23-33(42-5)24-36(38)45-8/h9-24H,1-8H3
InChIKeyCUHKPFQITOYHAD-UHFFFAOYSA-N
MW604.75 g/mol
LogP9.59
Rot. Bonds11

About 4-N-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(2,4,6-trimethoxyphenyl)benzene-1,4-diamine

4-N-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(2,4,6-trimethoxyphenyl)benzene-1,4-diamine (PubChem CID 134339163) has the molecular formula C38H40N2O5 and a molecular weight of 604.75 g/mol. Its IUPAC name is 4-N-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(2,4,6-trimethoxyphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(2,4,6-trimethoxyphenyl)benzene-1,4-diamine
PubChem CID134339163
Molecular FormulaC38H40N2O5
Molecular Weight604.75 g/mol
Exact Mass604.29
IUPAC Name4-N-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(2,4,6-trimethoxyphenyl)benzene-1,4-diamine
SMILESCOc1cc(C)c(N(c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c2c(OC)cc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C38H40N2O5/c1-25-9-13-28(14-10-25)39(29-15-11-26(2)12-16-29)30-17-19-31(20-18-30)40(37-27(3)21-32(41-4)22-34(37)43-6)38-35(44-7)23-33(42-5)24-36(38)45-8/h9-24H,1-8H3
InChIKeyCUHKPFQITOYHAD-UHFFFAOYSA-N
XLogP9.59
TPSA52.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.75
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-N-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(2,4,6-trimethoxyphenyl)benzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(2,4,6-trimethoxyphenyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(2,4,6-trimethoxyphenyl)benzene-1,4-diamine (CID 134339163) is 4-N-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(2,4,6-trimethoxyphenyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(2,4,6-trimethoxyphenyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(2,4,6-trimethoxyphenyl)benzene-1,4-diamine is COc1cc(C)c(N(c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c2c(OC)cc(OC)cc2OC)c(OC)c1.
What is the InChIKey of 4-N-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(2,4,6-trimethoxyphenyl)benzene-1,4-diamine?
The InChIKey is CUHKPFQITOYHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40N2O5/c1-25-9-13-28(14-10-25)39(29-15-11-26(2)12-16-29)30-17-19-31(20-18-30)40(37-27(3)21-32(41-4)22-34(37)43-6)38-35(44-7)23-33(42-5)24-36(38)45-8/h9-24H,1-8H3.
What are the key properties of 4-N-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(2,4,6-trimethoxyphenyl)benzene-1,4-diamine?
4-N-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(2,4,6-trimethoxyphenyl)benzene-1,4-diamine has a molecular weight of 604.75 g/mol, XLogP of 9.59, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(2,4,6-trimethoxyphenyl)benzene-1,4-diamine is sourced from PubChem (CID 134339163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).