4-N-tert-butyl-1-N-(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine

C34H40N2 — CID 134426365

IUPAC4-N-tert-butyl-1-N-(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
SMILESCc1ccc(N(c2ccc(N(c3ccc(C)cc3)C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C34H40N2/c1-25-9-15-28(16-10-25)35(29-19-13-27(14-20-29)33(3,4)5)30-21-23-32(24-22-30)36(34(6,7)8)31-17-11-26(2)12-18-31/h9-24H,1-8H3
InChIKeyXOYQAOQNFIXWEH-UHFFFAOYSA-N
MW476.71 g/mol
LogP10.01
Rot. Bonds5

About 4-N-tert-butyl-1-N-(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine

4-N-tert-butyl-1-N-(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine (PubChem CID 134426365) has the molecular formula C34H40N2 and a molecular weight of 476.71 g/mol. Its IUPAC name is 4-N-tert-butyl-1-N-(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-1-N-(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
PubChem CID134426365
Molecular FormulaC34H40N2
Molecular Weight476.71 g/mol
Exact Mass476.32
IUPAC Name4-N-tert-butyl-1-N-(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
SMILESCc1ccc(N(c2ccc(N(c3ccc(C)cc3)C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C34H40N2/c1-25-9-15-28(16-10-25)35(29-19-13-27(14-20-29)33(3,4)5)30-21-23-32(24-22-30)36(34(6,7)8)31-17-11-26(2)12-18-31/h9-24H,1-8H3
InChIKeyXOYQAOQNFIXWEH-UHFFFAOYSA-N
XLogP10.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.71
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-N-tert-butyl-1-N-(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)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

Related Compounds

1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 134368456
N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline
CID 134425789
N,4-ditert-butyl-N-(4-tert-butylphenyl)aniline
CID 90222675
1-N,3-N,5-N-tris(4-tert-butylphenyl)-1-N,3-N,5-N-tris(4-methylphenyl)benzene-1,3,5-triamine
CID 22900171
N-(4-tert-butylphenyl)-N-(4-ethylphenyl)-4-methylaniline
CID 142034446
N,N-bis(4-tert-butylphenyl)-4-methylaniline;4-tert-butyl-N,N-bis(4-tert-butylphenyl)aniline;1-tert-butyl-3,5-dimethylbenzene;N-(4-tert-butylphenyl)-4-methyl-N-(4-methylphenyl)aniline;1,3-ditert-butyl-5-methylbenzene;1,3,5-tritert-butylbenzene
CID 165070173
N,4-ditert-butyl-N-phenylaniline
CID 91172141
3-tert-butyl-N-[4-[4-(N-tert-butyl-4-methylanilino)phenoxy]phenyl]-N-(4-methylphenyl)aniline
CID 130458100
4-N-(4-tert-butyl-2-methylphenyl)-1-N-(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 143059806
1-tert-butyl-4-methylbenzene
CID 163486601
10-N-(4-tert-butylphenyl)-9-N,9-N,10-N-tris(4-methylphenyl)anthracene-9,10-diamine
CID 126627134
ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 145303596

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-1-N-(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine?
The IUPAC name of 4-N-tert-butyl-1-N-(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine (CID 134426365) is 4-N-tert-butyl-1-N-(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-tert-butyl-1-N-(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-tert-butyl-1-N-(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine is Cc1ccc(N(c2ccc(N(c3ccc(C)cc3)C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-N-tert-butyl-1-N-(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine?
The InChIKey is XOYQAOQNFIXWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N2/c1-25-9-15-28(16-10-25)35(29-19-13-27(14-20-29)33(3,4)5)30-21-23-32(24-22-30)36(34(6,7)8)31-17-11-26(2)12-18-31/h9-24H,1-8H3.
What are the key properties of 4-N-tert-butyl-1-N-(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine?
4-N-tert-butyl-1-N-(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine has a molecular weight of 476.71 g/mol, XLogP of 10.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-1-N-(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 134426365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).