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

C40H44N2 — CID 134368456

IUPAC1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
SMILESCc1ccc(N(c2ccc(N(c3ccc(C)cc3)c3ccc(C(C)(C)C)cc3)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C40H44N2/c1-29-9-17-33(18-10-29)41(35-21-13-31(14-22-35)39(3,4)5)37-25-27-38(28-26-37)42(34-19-11-30(2)12-20-34)36-23-15-32(16-24-36)40(6,7)8/h9-28H,1-8H3
InChIKeyPEIAVTREEPNWHT-UHFFFAOYSA-N
MW552.81 g/mol
LogP11.84
Rot. Bonds6

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

1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine (PubChem CID 134368456) has the molecular formula C40H44N2 and a molecular weight of 552.81 g/mol. Its IUPAC name is 1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
PubChem CID134368456
Molecular FormulaC40H44N2
Molecular Weight552.81 g/mol
Exact Mass552.35
IUPAC Name1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
SMILESCc1ccc(N(c2ccc(N(c3ccc(C)cc3)c3ccc(C(C)(C)C)cc3)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C40H44N2/c1-29-9-17-33(18-10-29)41(35-21-13-31(14-22-35)39(3,4)5)37-25-27-38(28-26-37)42(34-19-11-30(2)12-20-34)36-23-15-32(16-24-36)40(6,7)8/h9-28H,1-8H3
InChIKeyPEIAVTREEPNWHT-UHFFFAOYSA-N
XLogP11.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.81
LogP ≤ 511.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline
CID 134425789
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
4-N-tert-butyl-1-N-(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 134426365
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
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
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
4-tert-butyl-N,N-diphenylaniline
CID 11312667
N,N-bis[2-(4-tert-butylphenyl)propan-2-yl]-4-methylaniline
CID 126747851

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine (CID 134368456) is 1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine is Cc1ccc(N(c2ccc(N(c3ccc(C)cc3)c3ccc(C(C)(C)C)cc3)cc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine?
The InChIKey is PEIAVTREEPNWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H44N2/c1-29-9-17-33(18-10-29)41(35-21-13-31(14-22-35)39(3,4)5)37-25-27-38(28-26-37)42(34-19-11-30(2)12-20-34)36-23-15-32(16-24-36)40(6,7)8/h9-28H,1-8H3.
What are the key properties of 1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine?
1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine has a molecular weight of 552.81 g/mol, XLogP of 11.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 134368456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).