4-N-(4-hex-1-en-2-ylphenyl)-4-N-phenylbenzene-1,4-diamine

C24H26N2 — CID 134365137

IUPAC4-N-(4-hex-1-en-2-ylphenyl)-4-N-phenylbenzene-1,4-diamine
SMILESC=C(CCCC)c1ccc(N(c2ccccc2)c2ccc(N)cc2)cc1
InChIInChI=1S/C24H26N2/c1-3-4-8-19(2)20-11-15-23(16-12-20)26(22-9-6-5-7-10-22)24-17-13-21(25)14-18-24/h5-7,9-18H,2-4,8,25H2,1H3
InChIKeyNITWNDDZZMFMTE-UHFFFAOYSA-N
MW342.49 g/mol
LogP6.94
Rot. Bonds7

About 4-N-(4-hex-1-en-2-ylphenyl)-4-N-phenylbenzene-1,4-diamine

4-N-(4-hex-1-en-2-ylphenyl)-4-N-phenylbenzene-1,4-diamine (PubChem CID 134365137) has the molecular formula C24H26N2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 4-N-(4-hex-1-en-2-ylphenyl)-4-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-hex-1-en-2-ylphenyl)-4-N-phenylbenzene-1,4-diamine
PubChem CID134365137
Molecular FormulaC24H26N2
Molecular Weight342.49 g/mol
Exact Mass342.21
IUPAC Name4-N-(4-hex-1-en-2-ylphenyl)-4-N-phenylbenzene-1,4-diamine
SMILESC=C(CCCC)c1ccc(N(c2ccccc2)c2ccc(N)cc2)cc1
InChIInChI=1S/C24H26N2/c1-3-4-8-19(2)20-11-15-23(16-12-20)26(22-9-6-5-7-10-22)24-17-13-21(25)14-18-24/h5-7,9-18H,2-4,8,25H2,1H3
InChIKeyNITWNDDZZMFMTE-UHFFFAOYSA-N
XLogP6.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.49
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-butylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 163976726
benzene-1,4-diamine;4-N,4-N-diphenylbenzene-1,4-diamine
CID 67959062
hex-1-en-2-ylbenzene;propan-2-one
CID 142095367
pent-1-en-2-ylbenzene
CID 521761
4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 22944349
4-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 18421146
1-hex-1-en-2-yl-4-propylbenzene
CID 22166244
buta-1,3-diene;hex-1-en-2-ylbenzene;styrene
CID 173447370
4-(4-aminophenyl)aniline;N,N-diphenylaniline
CID 67789837
4-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-(4-aminophenyl)benzene-1,4-diamine
CID 163509117
4-N-(6-octylnaphthalen-2-yl)-4-N-phenylbenzene-1,4-diamine
CID 176898390
1-dec-1-en-2-yl-4-methylbenzene
CID 3805374

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-hex-1-en-2-ylphenyl)-4-N-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N-(4-hex-1-en-2-ylphenyl)-4-N-phenylbenzene-1,4-diamine (CID 134365137) is 4-N-(4-hex-1-en-2-ylphenyl)-4-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-hex-1-en-2-ylphenyl)-4-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(4-hex-1-en-2-ylphenyl)-4-N-phenylbenzene-1,4-diamine is C=C(CCCC)c1ccc(N(c2ccccc2)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-N-(4-hex-1-en-2-ylphenyl)-4-N-phenylbenzene-1,4-diamine?
The InChIKey is NITWNDDZZMFMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2/c1-3-4-8-19(2)20-11-15-23(16-12-20)26(22-9-6-5-7-10-22)24-17-13-21(25)14-18-24/h5-7,9-18H,2-4,8,25H2,1H3.
What are the key properties of 4-N-(4-hex-1-en-2-ylphenyl)-4-N-phenylbenzene-1,4-diamine?
4-N-(4-hex-1-en-2-ylphenyl)-4-N-phenylbenzene-1,4-diamine has a molecular weight of 342.49 g/mol, XLogP of 6.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-hex-1-en-2-ylphenyl)-4-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 134365137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).