1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine

C38H40N2 — CID 58862530

IUPAC1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine
SMILESCCc1ccc(N(c2ccc(CC)cc2)c2ccc(N(c3ccc(CC)cc3)c3ccc(CC)cc3)cc2)cc1
InChIInChI=1S/C38H40N2/c1-5-29-9-17-33(18-10-29)39(34-19-11-30(6-2)12-20-34)37-25-27-38(28-26-37)40(35-21-13-31(7-3)14-22-35)36-23-15-32(8-4)16-24-36/h9-28H,5-8H2,1-4H3
InChIKeyCFFRJKNZDJGJTH-UHFFFAOYSA-N
MW524.75 g/mol
LogP10.88
Rot. Bonds10

About 1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine

1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine (PubChem CID 58862530) has the molecular formula C38H40N2 and a molecular weight of 524.75 g/mol. Its IUPAC name is 1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine
PubChem CID58862530
Molecular FormulaC38H40N2
Molecular Weight524.75 g/mol
Exact Mass524.32
IUPAC Name1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine
SMILESCCc1ccc(N(c2ccc(CC)cc2)c2ccc(N(c3ccc(CC)cc3)c3ccc(CC)cc3)cc2)cc1
InChIInChI=1S/C38H40N2/c1-5-29-9-17-33(18-10-29)39(34-19-11-30(6-2)12-20-34)37-25-27-38(28-26-37)40(35-21-13-31(7-3)14-22-35)36-23-15-32(8-4)16-24-36/h9-28H,5-8H2,1-4H3
InChIKeyCFFRJKNZDJGJTH-UHFFFAOYSA-N
XLogP10.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.75
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)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

N,N-bis(4-tert-butylphenyl)-4-ethylaniline
CID 59863448
4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121323857
N-(4-ethylphenyl)-4-methyl-N-phenylaniline
CID 58800452
[4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(hydroxymethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]methanol
CID 18935095
N,N-bis[4-(4-tert-butylphenyl)phenyl]-4-(4-ethylphenyl)aniline
CID 59863422
4-ethyl-N-(4-fluorophenyl)-N-phenylaniline
CID 154721984
1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012
N-(4-tert-butylphenyl)-N-(4-ethylphenyl)-4-methylaniline
CID 142034446
4-ethyl-N-(4-ethylphenyl)-N-[4-[4-[4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]anilino]phenyl]phenyl]aniline
CID 59479623
4-ethyl-N-[4-[(E)-2-[4-(N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline
CID 59722336
N,N-bis[4-(cyclopentylmethyl)phenyl]-4-ethylaniline
CID 58420731

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine?
The IUPAC name of 1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine (CID 58862530) is 1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine is CCc1ccc(N(c2ccc(CC)cc2)c2ccc(N(c3ccc(CC)cc3)c3ccc(CC)cc3)cc2)cc1.
What is the InChIKey of 1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine?
The InChIKey is CFFRJKNZDJGJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40N2/c1-5-29-9-17-33(18-10-29)39(34-19-11-30(6-2)12-20-34)37-25-27-38(28-26-37)40(35-21-13-31(7-3)14-22-35)36-23-15-32(8-4)16-24-36/h9-28H,5-8H2,1-4H3.
What are the key properties of 1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine?
1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine has a molecular weight of 524.75 g/mol, XLogP of 10.88, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 58862530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).