1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine

C40H44N2 — CID 143918142

IUPAC1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
SMILESCCC(C)(C)c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(C(C)(C)CC)cc3)cc2)cc1
InChIInChI=1S/C40H44N2/c1-7-39(3,4)31-19-23-35(24-20-31)41(33-15-11-9-12-16-33)37-27-29-38(30-28-37)42(34-17-13-10-14-18-34)36-25-21-32(22-26-36)40(5,6)8-2/h9-30H,7-8H2,1-6H3
InChIKeyAVQFDGCJPHLDDU-UHFFFAOYSA-N
MW552.81 g/mol
LogP12.00
Rot. Bonds10

About 1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine

1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine (PubChem CID 143918142) has the molecular formula C40H44N2 and a molecular weight of 552.81 g/mol. Its IUPAC name is 1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
PubChem CID143918142
Molecular FormulaC40H44N2
Molecular Weight552.81 g/mol
Exact Mass552.35
IUPAC Name1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
SMILESCCC(C)(C)c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(C(C)(C)CC)cc3)cc2)cc1
InChIInChI=1S/C40H44N2/c1-7-39(3,4)31-19-23-35(24-20-31)41(33-15-11-9-12-16-33)37-27-29-38(30-28-37)42(34-17-13-10-14-18-34)36-25-21-32(22-26-36)40(5,6)8-2/h9-30H,7-8H2,1-6H3
InChIKeyAVQFDGCJPHLDDU-UHFFFAOYSA-N
XLogP12.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.81
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-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

9-N,10-N-bis[4-(2-methylbutan-2-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine
CID 134483225
4-[4-(N-[4-(2-methylbutan-2-yl)phenyl]anilino)phenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline
CID 71095331
4-tert-butyl-N,N-diphenylaniline
CID 11312667
N-(4-tert-butylphenyl)-3-methyl-N-[4-(2-methylbutan-2-yl)phenyl]aniline;ethane
CID 142315173
1-benzyl-4-(2-methylbutan-2-yl)benzene
CID 54402390
N-[2-[4-(2-methylbutan-2-yl)phenyl]butan-2-yl]-N-phenylnaphthalen-2-amine
CID 130269208
1-N,4-N-bis(3-ethenylphenyl)-1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]benzene-1,4-diamine;ethane;propane
CID 143729864
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
N-[4-(2-methylhexan-2-yl)phenyl]-4-[(E)-2-[4-[(E)-2-[4-(N-[4-(2-methylhexan-2-yl)phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenylaniline
CID 90305123
1-(2-methylbutan-2-yl)-4-phenoxybenzene
CID 67473143
4-N-[3-[4-(3-methylpentan-3-yl)phenyl]pentan-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 130270116
1-N,3-N-bis[4-(dimethylamino)phenyl]-1-N,3-N-bis[3-(2-methylbutan-2-yl)phenyl]benzene-1,3-diamine
CID 144692080

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine (CID 143918142) is 1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine is CCC(C)(C)c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(C(C)(C)CC)cc3)cc2)cc1.
What is the InChIKey of 1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine?
The InChIKey is AVQFDGCJPHLDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H44N2/c1-7-39(3,4)31-19-23-35(24-20-31)41(33-15-11-9-12-16-33)37-27-29-38(30-28-37)42(34-17-13-10-14-18-34)36-25-21-32(22-26-36)40(5,6)8-2/h9-30H,7-8H2,1-6H3.
What are the key properties of 1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine?
1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine has a molecular weight of 552.81 g/mol, XLogP of 12.00, 10 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-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 143918142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).