1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine

C36H36N2 — CID 157362668

IUPAC1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine
SMILESCCCc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(CCC)cc3)cc2)cc1
InChIInChI=1S/C36H36N2/c1-3-11-29-17-21-33(22-18-29)37(31-13-7-5-8-14-31)35-25-27-36(28-26-35)38(32-15-9-6-10-16-32)34-23-19-30(12-4-2)20-24-34/h5-10,13-28H,3-4,11-12H2,1-2H3
InChIKeyJNNMSMPTFACWHZ-UHFFFAOYSA-N
MW496.70 g/mol
LogP10.53
Rot. Bonds10

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

1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine (PubChem CID 157362668) has the molecular formula C36H36N2 and a molecular weight of 496.70 g/mol. Its IUPAC name is 1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine
PubChem CID157362668
Molecular FormulaC36H36N2
Molecular Weight496.70 g/mol
Exact Mass496.29
IUPAC Name1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine
SMILESCCCc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(CCC)cc3)cc2)cc1
InChIInChI=1S/C36H36N2/c1-3-11-29-17-21-33(22-18-29)37(31-13-7-5-8-14-31)35-25-27-36(28-26-35)38(32-15-9-6-10-16-32)34-23-19-30(12-4-2)20-24-34/h5-10,13-28H,3-4,11-12H2,1-2H3
InChIKeyJNNMSMPTFACWHZ-UHFFFAOYSA-N
XLogP10.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.70
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-N,10-N-diphenyl-9-N,10-N-bis(4-propylphenyl)anthracene-9,10-diamine
CID 161046775
N,N-diphenyl-4-tetradecylaniline
CID 170668082
4-hexyl-N,N-diphenylaniline
CID 20525221
4-octadecyl-N,N-diphenylaniline
CID 162035815
4-N-(4-butylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 163976726
N,N-diphenyl-4-[2-[3-[2-[4-(N-phenylanilino)phenyl]ethyl]phenyl]ethyl]aniline
CID 14646517
N-[4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]phenyl]-N-phenyl-4-propylaniline
CID 71125825
4-butyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-butylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 22900144
N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
CID 58250828
propylbenzene;hydrobromide
CID 70024036
propylbenzene tetraiodide
CID 23321652
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine (CID 157362668) is 1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine is CCCc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(CCC)cc3)cc2)cc1.
What is the InChIKey of 1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine?
The InChIKey is JNNMSMPTFACWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N2/c1-3-11-29-17-21-33(22-18-29)37(31-13-7-5-8-14-31)35-25-27-36(28-26-35)38(32-15-9-6-10-16-32)34-23-19-30(12-4-2)20-24-34/h5-10,13-28H,3-4,11-12H2,1-2H3.
What are the key properties of 1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine?
1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine has a molecular weight of 496.70 g/mol, XLogP of 10.53, 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-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 157362668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).