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

C39H42N2 — CID 163431487

IUPAC4-N-(4-butylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(4-propylphenyl)benzene-1,4-diamine
SMILESCCCCc1ccc(N(c2ccc(CCC)cc2)c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C39H42N2/c1-5-7-9-33-16-24-37(25-17-33)41(36-22-14-32(8-6-2)15-23-36)39-28-26-38(27-29-39)40(34-18-10-30(3)11-19-34)35-20-12-31(4)13-21-35/h10-29H,5-9H2,1-4H3
InChIKeyAQVRYLKXTOOQCX-UHFFFAOYSA-N
MW538.78 g/mol
LogP11.54
Rot. Bonds11

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

4-N-(4-butylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(4-propylphenyl)benzene-1,4-diamine (PubChem CID 163431487) has the molecular formula C39H42N2 and a molecular weight of 538.78 g/mol. Its IUPAC name is 4-N-(4-butylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(4-propylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-butylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(4-propylphenyl)benzene-1,4-diamine
PubChem CID163431487
Molecular FormulaC39H42N2
Molecular Weight538.78 g/mol
Exact Mass538.33
IUPAC Name4-N-(4-butylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(4-propylphenyl)benzene-1,4-diamine
SMILESCCCCc1ccc(N(c2ccc(CCC)cc2)c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C39H42N2/c1-5-7-9-33-16-24-37(25-17-33)41(36-22-14-32(8-6-2)15-23-36)39-28-26-38(27-29-39)40(34-18-10-30(3)11-19-34)35-20-12-31(4)13-21-35/h10-29H,5-9H2,1-4H3
InChIKeyAQVRYLKXTOOQCX-UHFFFAOYSA-N
XLogP11.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.78
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-N-(4-butylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(4-propylphenyl)benzene-1,4-diamine with MolForge

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Related Compounds

4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 58789445
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(4-octylphenyl)benzene-1,4-diamine
CID 58273977
CID 89216957
CID 89216957
N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
CID 58250828
N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-butylanilino)phenyl]phenyl]-4-methylaniline
CID 58210318
1-butyl-4-methylbenzene;1-ethyl-4-methylbenzene;1-methyl-4-propylbenzene
CID 159106327
N-(4-butylphenyl)-3-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline
CID 134423688
1-N,1-N,4-N,4-N-tetrakis(4-octylphenyl)benzene-1,4-diamine
CID 59470455
1-butyl-4-methylbenzene;N-methylmethanamine
CID 143818952
N-[4-[4-[4-(4-butyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(4-propylphenyl)aniline
CID 59203915
4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline
CID 59682229
1-N,4-N-bis(4-butylphenyl)-1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]benzene-1,4-diamine
CID 59682226

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-butylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(4-propylphenyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(4-butylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(4-propylphenyl)benzene-1,4-diamine (CID 163431487) is 4-N-(4-butylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(4-propylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-butylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(4-propylphenyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(4-butylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(4-propylphenyl)benzene-1,4-diamine is CCCCc1ccc(N(c2ccc(CCC)cc2)c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 4-N-(4-butylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(4-propylphenyl)benzene-1,4-diamine?
The InChIKey is AQVRYLKXTOOQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42N2/c1-5-7-9-33-16-24-37(25-17-33)41(36-22-14-32(8-6-2)15-23-36)39-28-26-38(27-29-39)40(34-18-10-30(3)11-19-34)35-20-12-31(4)13-21-35/h10-29H,5-9H2,1-4H3.
What are the key properties of 4-N-(4-butylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(4-propylphenyl)benzene-1,4-diamine?
4-N-(4-butylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(4-propylphenyl)benzene-1,4-diamine has a molecular weight of 538.78 g/mol, XLogP of 11.54, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-butylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(4-propylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 163431487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).