(E)-5-N,6-N-diphenyltriacont-7-ene-5,6-diimine

C42H66N2 — CID 21033841

IUPAC(E)-5-N,6-N-diphenyltriacont-7-ene-5,6-diimine
SMILESCCCCCCCCCCCCCCCCCCCCCC/C=C/C(=N\c1ccccc1)/C(CCCC)=N/c1ccccc1
InChIInChI=1S/C42H66N2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-32-38-42(44-40-35-30-27-31-36-40)41(37-6-4-2)43-39-33-28-26-29-34-39/h26-36,38H,3-25,37H2,1-2H3/b38-32+,43-41+,44-42+
InChIKeyFOVKWAFNRBBYCR-HKFRTBSCSA-N
MW599.00 g/mol
LogP14.49
Rot. Bonds28

About (E)-5-N,6-N-diphenyltriacont-7-ene-5,6-diimine

(E)-5-N,6-N-diphenyltriacont-7-ene-5,6-diimine (PubChem CID 21033841) has the molecular formula C42H66N2 and a molecular weight of 599.00 g/mol. Its IUPAC name is (E)-5-N,6-N-diphenyltriacont-7-ene-5,6-diimine.

Molecular Properties

Compound Name(E)-5-N,6-N-diphenyltriacont-7-ene-5,6-diimine
PubChem CID21033841
Molecular FormulaC42H66N2
Molecular Weight599.00 g/mol
Exact Mass598.52
IUPAC Name(E)-5-N,6-N-diphenyltriacont-7-ene-5,6-diimine
SMILESCCCCCCCCCCCCCCCCCCCCCC/C=C/C(=N\c1ccccc1)/C(CCCC)=N/c1ccccc1
InChIInChI=1S/C42H66N2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-32-38-42(44-40-35-30-27-31-36-40)41(37-6-4-2)43-39-33-28-26-29-34-39/h26-36,38H,3-25,37H2,1-2H3/b38-32+,43-41+,44-42+
InChIKeyFOVKWAFNRBBYCR-HKFRTBSCSA-N
XLogP14.49
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.00
LogP ≤ 514.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (E)-5-N,6-N-diphenyltriacont-7-ene-5,6-diimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-5-N,6-N-diphenyloctadec-7-ene-5,6-diimine;nickel
CID 87911566
6-N,7-N-diphenylpentatriacont-8-ene-6,7-diimine;nickel
CID 87911997
(E)-3-N,4-N-diphenylpentacos-5-ene-3,4-diimine
CID 87875275
(E)-3-N,4-N-diphenylnonacos-5-ene-3,4-diimine
CID 87910560
(E)-7-N-(3,5-diethylphenyl)-8-N-phenylicos-9-ene-7,8-diimine
CID 87911066
6-N,7-N-diphenyldodec-4-ene-6,7-diimine;nickel
CID 173191426
5-N-(3,4-dipropylphenyl)-6-N-phenylheptadec-7-ene-5,6-diimine;nickel
CID 87910916
5-N,6-N-bis(4-docosylphenyl)hexacos-7-ene-5,6-diimine
CID 87911505
(Z)-4-N,5-N-diphenylundec-2-ene-4,5-diimine;nickel
CID 87911857
(E)-5-N,6-N-bis(3,4-dimethylphenyl)docos-7-ene-5,6-diimine
CID 87912051
(E)-5-N,6-N-bis(3,4-dimethylphenyl)docos-7-ene-5,6-diimine;palladium
CID 87912050
6-N,7-N-bis(3-dodecylphenyl)triacont-8-ene-6,7-diimine;nickel
CID 87912512

Frequently Asked Questions

What is the IUPAC name of (E)-5-N,6-N-diphenyltriacont-7-ene-5,6-diimine?
The IUPAC name of (E)-5-N,6-N-diphenyltriacont-7-ene-5,6-diimine (CID 21033841) is (E)-5-N,6-N-diphenyltriacont-7-ene-5,6-diimine.
What is the SMILES notation for (E)-5-N,6-N-diphenyltriacont-7-ene-5,6-diimine?
The canonical SMILES for (E)-5-N,6-N-diphenyltriacont-7-ene-5,6-diimine is CCCCCCCCCCCCCCCCCCCCCC/C=C/C(=N\c1ccccc1)/C(CCCC)=N/c1ccccc1.
What is the InChIKey of (E)-5-N,6-N-diphenyltriacont-7-ene-5,6-diimine?
The InChIKey is FOVKWAFNRBBYCR-HKFRTBSCSA-N. The full InChI is InChI=1S/C42H66N2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-32-38-42(44-40-35-30-27-31-36-40)41(37-6-4-2)43-39-33-28-26-29-34-39/h26-36,38H,3-25,37H2,1-2H3/b38-32+,43-41+,44-42+.
What are the key properties of (E)-5-N,6-N-diphenyltriacont-7-ene-5,6-diimine?
(E)-5-N,6-N-diphenyltriacont-7-ene-5,6-diimine has a molecular weight of 599.00 g/mol, XLogP of 14.49, 28 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-N,6-N-diphenyltriacont-7-ene-5,6-diimine is sourced from PubChem (CID 21033841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).