(E)-1-N,1-N',8-N-triphenyloct-7-ene-1,1,8-triamine

C26H31N3 — CID 142700689

IUPAC(E)-1-N,1-N',8-N-triphenyloct-7-ene-1,1,8-triamine
SMILESC(=C/Nc1ccccc1)\CCCCCC(Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C26H31N3/c1(3-14-22-27-23-15-7-4-8-16-23)2-13-21-26(28-24-17-9-5-10-18-24)29-25-19-11-6-12-20-25/h4-12,14-20,22,26-29H,1-3,13,21H2/b22-14+
InChIKeyKQILTPKOIPMNOM-HYARGMPZSA-N
MW385.56 g/mol
LogP7.11
Rot. Bonds12

About (E)-1-N,1-N',8-N-triphenyloct-7-ene-1,1,8-triamine

(E)-1-N,1-N',8-N-triphenyloct-7-ene-1,1,8-triamine (PubChem CID 142700689) has the molecular formula C26H31N3 and a molecular weight of 385.56 g/mol. Its IUPAC name is (E)-1-N,1-N',8-N-triphenyloct-7-ene-1,1,8-triamine.

Molecular Properties

Compound Name(E)-1-N,1-N',8-N-triphenyloct-7-ene-1,1,8-triamine
PubChem CID142700689
Molecular FormulaC26H31N3
Molecular Weight385.56 g/mol
Exact Mass385.25
IUPAC Name(E)-1-N,1-N',8-N-triphenyloct-7-ene-1,1,8-triamine
SMILESC(=C/Nc1ccccc1)\CCCCCC(Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C26H31N3/c1(3-14-22-27-23-15-7-4-8-16-23)2-13-21-26(28-24-17-9-5-10-18-24)29-25-19-11-6-12-20-25/h4-12,14-20,22,26-29H,1-3,13,21H2/b22-14+
InChIKeyKQILTPKOIPMNOM-HYARGMPZSA-N
XLogP7.11
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.56
LogP ≤ 57.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-N,1-N',8-N-triphenyloct-7-ene-1,1,8-triamine?
The IUPAC name of (E)-1-N,1-N',8-N-triphenyloct-7-ene-1,1,8-triamine (CID 142700689) is (E)-1-N,1-N',8-N-triphenyloct-7-ene-1,1,8-triamine.
What is the SMILES notation for (E)-1-N,1-N',8-N-triphenyloct-7-ene-1,1,8-triamine?
The canonical SMILES for (E)-1-N,1-N',8-N-triphenyloct-7-ene-1,1,8-triamine is C(=C/Nc1ccccc1)\CCCCCC(Nc1ccccc1)Nc1ccccc1.
What is the InChIKey of (E)-1-N,1-N',8-N-triphenyloct-7-ene-1,1,8-triamine?
The InChIKey is KQILTPKOIPMNOM-HYARGMPZSA-N. The full InChI is InChI=1S/C26H31N3/c1(3-14-22-27-23-15-7-4-8-16-23)2-13-21-26(28-24-17-9-5-10-18-24)29-25-19-11-6-12-20-25/h4-12,14-20,22,26-29H,1-3,13,21H2/b22-14+.
What are the key properties of (E)-1-N,1-N',8-N-triphenyloct-7-ene-1,1,8-triamine?
(E)-1-N,1-N',8-N-triphenyloct-7-ene-1,1,8-triamine has a molecular weight of 385.56 g/mol, XLogP of 7.11, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N,1-N',8-N-triphenyloct-7-ene-1,1,8-triamine is sourced from PubChem (CID 142700689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).