(2E,4Z,6Z)-2-ethenyl-5-methyl-N-[(3E,5E)-6-methyl-7-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]iminohepta-1,3,5-trien-3-yl]octa-2,4,6-trien-1-imine

C28H34N2 — CID 145060065

IUPAC(2E,4Z,6Z)-2-ethenyl-5-methyl-N-[(3E,5E)-6-methyl-7-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]iminohepta-1,3,5-trien-3-yl]octa-2,4,6-trien-1-imine
SMILESC=C/C(C)=C\C=C(C=C)\N=C\C(C)=C\C=C(C=C)\N=C\C(C=C)=C\C=C(C)/C=C\C
InChIInChI=1S/C28H34N2/c1-9-14-24(7)15-18-26(11-3)22-30-28(13-5)20-17-25(8)21-29-27(12-4)19-16-23(6)10-2/h9-22H,2-5H2,1,6-8H3/b14-9-,23-16-,24-15-,25-17+,26-18+,27-19+,28-20+,29-21+,30-22+
InChIKeyDICCJOIBERZEQP-BIDIUPDXSA-N
MW398.59 g/mol
LogP7.98
Rot. Bonds12

About (2E,4Z,6Z)-2-ethenyl-5-methyl-N-[(3E,5E)-6-methyl-7-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]iminohepta-1,3,5-trien-3-yl]octa-2,4,6-trien-1-imine

(2E,4Z,6Z)-2-ethenyl-5-methyl-N-[(3E,5E)-6-methyl-7-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]iminohepta-1,3,5-trien-3-yl]octa-2,4,6-trien-1-imine (PubChem CID 145060065) has the molecular formula C28H34N2 and a molecular weight of 398.59 g/mol. Its IUPAC name is (2E,4Z,6Z)-2-ethenyl-5-methyl-N-[(3E,5E)-6-methyl-7-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]iminohepta-1,3,5-trien-3-yl]octa-2,4,6-trien-1-imine.

Molecular Properties

Compound Name(2E,4Z,6Z)-2-ethenyl-5-methyl-N-[(3E,5E)-6-methyl-7-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]iminohepta-1,3,5-trien-3-yl]octa-2,4,6-trien-1-imine
PubChem CID145060065
Molecular FormulaC28H34N2
Molecular Weight398.59 g/mol
Exact Mass398.27
IUPAC Name(2E,4Z,6Z)-2-ethenyl-5-methyl-N-[(3E,5E)-6-methyl-7-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]iminohepta-1,3,5-trien-3-yl]octa-2,4,6-trien-1-imine
SMILESC=C/C(C)=C\C=C(C=C)\N=C\C(C)=C\C=C(C=C)\N=C\C(C=C)=C\C=C(C)/C=C\C
InChIInChI=1S/C28H34N2/c1-9-14-24(7)15-18-26(11-3)22-30-28(13-5)20-17-25(8)21-29-27(12-4)19-16-23(6)10-2/h9-22H,2-5H2,1,6-8H3/b14-9-,23-16-,24-15-,25-17+,26-18+,27-19+,28-20+,29-21+,30-22+
InChIKeyDICCJOIBERZEQP-BIDIUPDXSA-N
XLogP7.98
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.59
LogP ≤ 57.98
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'}

Analyze (2E,4Z,6Z)-2-ethenyl-5-methyl-N-[(3E,5E)-6-methyl-7-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]iminohepta-1,3,5-trien-3-yl]octa-2,4,6-trien-1-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6Z)-2-ethenyl-5-methyl-N-[(3E,5E)-6-methyl-7-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]iminohepta-1,3,5-trien-3-yl]octa-2,4,6-trien-1-imine?
The IUPAC name of (2E,4Z,6Z)-2-ethenyl-5-methyl-N-[(3E,5E)-6-methyl-7-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]iminohepta-1,3,5-trien-3-yl]octa-2,4,6-trien-1-imine (CID 145060065) is (2E,4Z,6Z)-2-ethenyl-5-methyl-N-[(3E,5E)-6-methyl-7-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]iminohepta-1,3,5-trien-3-yl]octa-2,4,6-trien-1-imine.
What is the SMILES notation for (2E,4Z,6Z)-2-ethenyl-5-methyl-N-[(3E,5E)-6-methyl-7-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]iminohepta-1,3,5-trien-3-yl]octa-2,4,6-trien-1-imine?
The canonical SMILES for (2E,4Z,6Z)-2-ethenyl-5-methyl-N-[(3E,5E)-6-methyl-7-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]iminohepta-1,3,5-trien-3-yl]octa-2,4,6-trien-1-imine is C=C/C(C)=C\C=C(C=C)\N=C\C(C)=C\C=C(C=C)\N=C\C(C=C)=C\C=C(C)/C=C\C.
What is the InChIKey of (2E,4Z,6Z)-2-ethenyl-5-methyl-N-[(3E,5E)-6-methyl-7-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]iminohepta-1,3,5-trien-3-yl]octa-2,4,6-trien-1-imine?
The InChIKey is DICCJOIBERZEQP-BIDIUPDXSA-N. The full InChI is InChI=1S/C28H34N2/c1-9-14-24(7)15-18-26(11-3)22-30-28(13-5)20-17-25(8)21-29-27(12-4)19-16-23(6)10-2/h9-22H,2-5H2,1,6-8H3/b14-9-,23-16-,24-15-,25-17+,26-18+,27-19+,28-20+,29-21+,30-22+.
What are the key properties of (2E,4Z,6Z)-2-ethenyl-5-methyl-N-[(3E,5E)-6-methyl-7-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]iminohepta-1,3,5-trien-3-yl]octa-2,4,6-trien-1-imine?
(2E,4Z,6Z)-2-ethenyl-5-methyl-N-[(3E,5E)-6-methyl-7-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]iminohepta-1,3,5-trien-3-yl]octa-2,4,6-trien-1-imine has a molecular weight of 398.59 g/mol, XLogP of 7.98, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6Z)-2-ethenyl-5-methyl-N-[(3E,5E)-6-methyl-7-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]iminohepta-1,3,5-trien-3-yl]octa-2,4,6-trien-1-imine is sourced from PubChem (CID 145060065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).