1-N,4-N-bis[4-(4-ethenylphenoxy)phenyl]benzene-1,4-diamine

C34H28N2O2 — CID 139419448

IUPAC1-N,4-N-bis[4-(4-ethenylphenoxy)phenyl]benzene-1,4-diamine
SMILESC=Cc1ccc(Oc2ccc(Nc3ccc(Nc4ccc(Oc5ccc(C=C)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C34H28N2O2/c1-3-25-5-17-31(18-6-25)37-33-21-13-29(14-22-33)35-27-9-11-28(12-10-27)36-30-15-23-34(24-16-30)38-32-19-7-26(4-2)8-20-32/h3-24,35-36H,1-2H2
InChIKeyXACCCVFSZYCSHK-UHFFFAOYSA-N
MW496.61 g/mol
LogP10.04
Rot. Bonds10

About 1-N,4-N-bis[4-(4-ethenylphenoxy)phenyl]benzene-1,4-diamine

1-N,4-N-bis[4-(4-ethenylphenoxy)phenyl]benzene-1,4-diamine (PubChem CID 139419448) has the molecular formula C34H28N2O2 and a molecular weight of 496.61 g/mol. Its IUPAC name is 1-N,4-N-bis[4-(4-ethenylphenoxy)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis[4-(4-ethenylphenoxy)phenyl]benzene-1,4-diamine
PubChem CID139419448
Molecular FormulaC34H28N2O2
Molecular Weight496.61 g/mol
Exact Mass496.22
IUPAC Name1-N,4-N-bis[4-(4-ethenylphenoxy)phenyl]benzene-1,4-diamine
SMILESC=Cc1ccc(Oc2ccc(Nc3ccc(Nc4ccc(Oc5ccc(C=C)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C34H28N2O2/c1-3-25-5-17-31(18-6-25)37-33-21-13-29(14-22-33)35-27-9-11-28(12-10-27)36-30-15-23-34(24-16-30)38-32-19-7-26(4-2)8-20-32/h3-24,35-36H,1-2H2
InChIKeyXACCCVFSZYCSHK-UHFFFAOYSA-N
XLogP10.04
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 510.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethenyl-N-phenylaniline
CID 21478062
1-(4-ethenylphenoxy)-3,5-dimethylbenzene
CID 141340670
4-methyl-N-[4-[4-(4-methylanilino)phenoxy]phenyl]aniline
CID 101414938
N,4-bis(ethenyl)aniline
CID 21060901
6-ethenyl-N-(4-phenoxyphenyl)pyridazin-4-amine
CID 170619902
5-(4-ethenylphenoxy)-1,2,3-trimethoxybenzene
CID 130377348
4-ethenyl-N-[4-[2-[4-(4-ethenylanilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]aniline
CID 137446475
1-tert-butyl-3-(4-ethenylphenoxy)benzene
CID 155466974
1-ethenyl-4-methylperoxybenzene
CID 21053359
1-buta-1,3-dienyl-4-(4-buta-1,3-dienylphenoxy)benzene
CID 73415199
3-[(4-ethenylphenyl)methoxy]-N-phenylaniline
CID 22052676
1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 158836973

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[4-(4-ethenylphenoxy)phenyl]benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis[4-(4-ethenylphenoxy)phenyl]benzene-1,4-diamine (CID 139419448) is 1-N,4-N-bis[4-(4-ethenylphenoxy)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis[4-(4-ethenylphenoxy)phenyl]benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis[4-(4-ethenylphenoxy)phenyl]benzene-1,4-diamine is C=Cc1ccc(Oc2ccc(Nc3ccc(Nc4ccc(Oc5ccc(C=C)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-N,4-N-bis[4-(4-ethenylphenoxy)phenyl]benzene-1,4-diamine?
The InChIKey is XACCCVFSZYCSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2O2/c1-3-25-5-17-31(18-6-25)37-33-21-13-29(14-22-33)35-27-9-11-28(12-10-27)36-30-15-23-34(24-16-30)38-32-19-7-26(4-2)8-20-32/h3-24,35-36H,1-2H2.
What are the key properties of 1-N,4-N-bis[4-(4-ethenylphenoxy)phenyl]benzene-1,4-diamine?
1-N,4-N-bis[4-(4-ethenylphenoxy)phenyl]benzene-1,4-diamine has a molecular weight of 496.61 g/mol, XLogP of 10.04, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[4-(4-ethenylphenoxy)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 139419448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).