(3E,5Z)-3-ethenyl-1-N,2-N-bis[(3Z)-penta-1,3-dien-2-yl]hepta-3,5-diene-1,2-diimine

C19H24N2 — CID 170323687

IUPAC(3E,5Z)-3-ethenyl-1-N,2-N-bis[(3Z)-penta-1,3-dien-2-yl]hepta-3,5-diene-1,2-diimine
SMILESC=CC(=C\C=C/C)/C(/C=N/C(=C)/C=C\C)=N/C(=C)/C=C\C
InChIInChI=1S/C19H24N2/c1-7-11-14-18(10-4)19(21-17(6)13-9-3)15-20-16(5)12-8-2/h7-15H,4-6H2,1-3H3/b11-7-,12-8-,13-9-,18-14+,20-15+,21-19+
InChIKeyBSBHSHAKYWBJIC-ZPBCGUAKSA-N
MW280.42 g/mol
LogP5.37
Rot. Bonds8

About (3E,5Z)-3-ethenyl-1-N,2-N-bis[(3Z)-penta-1,3-dien-2-yl]hepta-3,5-diene-1,2-diimine

(3E,5Z)-3-ethenyl-1-N,2-N-bis[(3Z)-penta-1,3-dien-2-yl]hepta-3,5-diene-1,2-diimine (PubChem CID 170323687) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is (3E,5Z)-3-ethenyl-1-N,2-N-bis[(3Z)-penta-1,3-dien-2-yl]hepta-3,5-diene-1,2-diimine.

Molecular Properties

Compound Name(3E,5Z)-3-ethenyl-1-N,2-N-bis[(3Z)-penta-1,3-dien-2-yl]hepta-3,5-diene-1,2-diimine
PubChem CID170323687
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name(3E,5Z)-3-ethenyl-1-N,2-N-bis[(3Z)-penta-1,3-dien-2-yl]hepta-3,5-diene-1,2-diimine
SMILESC=CC(=C\C=C/C)/C(/C=N/C(=C)/C=C\C)=N/C(=C)/C=C\C
InChIInChI=1S/C19H24N2/c1-7-11-14-18(10-4)19(21-17(6)13-9-3)15-20-16(5)12-8-2/h7-15H,4-6H2,1-3H3/b11-7-,12-8-,13-9-,18-14+,20-15+,21-19+
InChIKeyBSBHSHAKYWBJIC-ZPBCGUAKSA-N
XLogP5.37
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.42
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3-ethenyl-1-N,2-N-bis[(3Z)-penta-1,3-dien-2-yl]hepta-3,5-diene-1,2-diimine?
The IUPAC name of (3E,5Z)-3-ethenyl-1-N,2-N-bis[(3Z)-penta-1,3-dien-2-yl]hepta-3,5-diene-1,2-diimine (CID 170323687) is (3E,5Z)-3-ethenyl-1-N,2-N-bis[(3Z)-penta-1,3-dien-2-yl]hepta-3,5-diene-1,2-diimine.
What is the SMILES notation for (3E,5Z)-3-ethenyl-1-N,2-N-bis[(3Z)-penta-1,3-dien-2-yl]hepta-3,5-diene-1,2-diimine?
The canonical SMILES for (3E,5Z)-3-ethenyl-1-N,2-N-bis[(3Z)-penta-1,3-dien-2-yl]hepta-3,5-diene-1,2-diimine is C=CC(=C\C=C/C)/C(/C=N/C(=C)/C=C\C)=N/C(=C)/C=C\C.
What is the InChIKey of (3E,5Z)-3-ethenyl-1-N,2-N-bis[(3Z)-penta-1,3-dien-2-yl]hepta-3,5-diene-1,2-diimine?
The InChIKey is BSBHSHAKYWBJIC-ZPBCGUAKSA-N. The full InChI is InChI=1S/C19H24N2/c1-7-11-14-18(10-4)19(21-17(6)13-9-3)15-20-16(5)12-8-2/h7-15H,4-6H2,1-3H3/b11-7-,12-8-,13-9-,18-14+,20-15+,21-19+.
What are the key properties of (3E,5Z)-3-ethenyl-1-N,2-N-bis[(3Z)-penta-1,3-dien-2-yl]hepta-3,5-diene-1,2-diimine?
(3E,5Z)-3-ethenyl-1-N,2-N-bis[(3Z)-penta-1,3-dien-2-yl]hepta-3,5-diene-1,2-diimine has a molecular weight of 280.42 g/mol, XLogP of 5.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-ethenyl-1-N,2-N-bis[(3Z)-penta-1,3-dien-2-yl]hepta-3,5-diene-1,2-diimine is sourced from PubChem (CID 170323687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).