N,N'-diphenylhexa-1,3,5-triene-1,6-diamine;hydrochloride

C18H19ClN2 — CID 75086588

IUPACN,N'-diphenylhexa-1,3,5-triene-1,6-diamine;hydrochloride
SMILESC(=CC=CNc1ccccc1)C=CNc1ccccc1.Cl
InChIInChI=1S/C18H18N2.ClH/c1(9-15-19-17-11-5-3-6-12-17)2-10-16-20-18-13-7-4-8-14-18;/h1-16,19-20H;1H
InChIKeyFRULOHGXRHFGQT-UHFFFAOYSA-N
MW298.82 g/mol
LogP5.22
Rot. Bonds6

About N,N'-diphenylhexa-1,3,5-triene-1,6-diamine;hydrochloride

N,N'-diphenylhexa-1,3,5-triene-1,6-diamine;hydrochloride (PubChem CID 75086588) has the molecular formula C18H19ClN2 and a molecular weight of 298.82 g/mol. Its IUPAC name is N,N'-diphenylhexa-1,3,5-triene-1,6-diamine;hydrochloride.

Molecular Properties

Compound NameN,N'-diphenylhexa-1,3,5-triene-1,6-diamine;hydrochloride
PubChem CID75086588
Molecular FormulaC18H19ClN2
Molecular Weight298.82 g/mol
Exact Mass298.12
IUPAC NameN,N'-diphenylhexa-1,3,5-triene-1,6-diamine;hydrochloride
SMILESC(=CC=CNc1ccccc1)C=CNc1ccccc1.Cl
InChIInChI=1S/C18H18N2.ClH/c1(9-15-19-17-11-5-3-6-12-17)2-10-16-20-18-13-7-4-8-14-18;/h1-16,19-20H;1H
InChIKeyFRULOHGXRHFGQT-UHFFFAOYSA-N
XLogP5.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.82
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-diphenylhexa-1,3,5-triene-1,6-diamine;hydrochloride?
The IUPAC name of N,N'-diphenylhexa-1,3,5-triene-1,6-diamine;hydrochloride (CID 75086588) is N,N'-diphenylhexa-1,3,5-triene-1,6-diamine;hydrochloride.
What is the SMILES notation for N,N'-diphenylhexa-1,3,5-triene-1,6-diamine;hydrochloride?
The canonical SMILES for N,N'-diphenylhexa-1,3,5-triene-1,6-diamine;hydrochloride is C(=CC=CNc1ccccc1)C=CNc1ccccc1.Cl.
What is the InChIKey of N,N'-diphenylhexa-1,3,5-triene-1,6-diamine;hydrochloride?
The InChIKey is FRULOHGXRHFGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2.ClH/c1(9-15-19-17-11-5-3-6-12-17)2-10-16-20-18-13-7-4-8-14-18;/h1-16,19-20H;1H.
What are the key properties of N,N'-diphenylhexa-1,3,5-triene-1,6-diamine;hydrochloride?
N,N'-diphenylhexa-1,3,5-triene-1,6-diamine;hydrochloride has a molecular weight of 298.82 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diphenylhexa-1,3,5-triene-1,6-diamine;hydrochloride is sourced from PubChem (CID 75086588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).