4-[(2E,4E,6Z,8Z)-2-ethenyl-4-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-3,5-dimethylundeca-2,4,6,8-tetraenyl]-N-[(E)-prop-1-enyl]aniline

C31H37N — CID 144639427

IUPAC4-[(2E,4E,6Z,8Z)-2-ethenyl-4-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-3,5-dimethylundeca-2,4,6,8-tetraenyl]-N-[(E)-prop-1-enyl]aniline
SMILESC#C/C=C\C=C(C)\C(C(/C)=C(\C=C)Cc1ccc(N/C=C/C)cc1)=C(C)/C=C\C=C/CC
InChIInChI=1S/C31H37N/c1-8-12-14-16-18-26(6)31(25(5)17-15-13-9-2)27(7)29(11-4)24-28-19-21-30(22-20-28)32-23-10-3/h2,10-23,32H,4,8,24H2,1,3,5-7H3/b14-12-,15-13-,18-16-,23-10+,25-17+,29-27-,31-26+
InChIKeyBZBBXGSNMGZYKK-GIAKZVLRSA-N
MW423.64 g/mol
LogP8.65
Rot. Bonds11

About 4-[(2E,4E,6Z,8Z)-2-ethenyl-4-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-3,5-dimethylundeca-2,4,6,8-tetraenyl]-N-[(E)-prop-1-enyl]aniline

4-[(2E,4E,6Z,8Z)-2-ethenyl-4-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-3,5-dimethylundeca-2,4,6,8-tetraenyl]-N-[(E)-prop-1-enyl]aniline (PubChem CID 144639427) has the molecular formula C31H37N and a molecular weight of 423.64 g/mol. Its IUPAC name is 4-[(2E,4E,6Z,8Z)-2-ethenyl-4-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-3,5-dimethylundeca-2,4,6,8-tetraenyl]-N-[(E)-prop-1-enyl]aniline.

Molecular Properties

Compound Name4-[(2E,4E,6Z,8Z)-2-ethenyl-4-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-3,5-dimethylundeca-2,4,6,8-tetraenyl]-N-[(E)-prop-1-enyl]aniline
PubChem CID144639427
Molecular FormulaC31H37N
Molecular Weight423.64 g/mol
Exact Mass423.29
IUPAC Name4-[(2E,4E,6Z,8Z)-2-ethenyl-4-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-3,5-dimethylundeca-2,4,6,8-tetraenyl]-N-[(E)-prop-1-enyl]aniline
SMILESC#C/C=C\C=C(C)\C(C(/C)=C(\C=C)Cc1ccc(N/C=C/C)cc1)=C(C)/C=C\C=C/CC
InChIInChI=1S/C31H37N/c1-8-12-14-16-18-26(6)31(25(5)17-15-13-9-2)27(7)29(11-4)24-28-19-21-30(22-20-28)32-23-10-3/h2,10-23,32H,4,8,24H2,1,3,5-7H3/b14-12-,15-13-,18-16-,23-10+,25-17+,29-27-,31-26+
InChIKeyBZBBXGSNMGZYKK-GIAKZVLRSA-N
XLogP8.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.64
LogP ≤ 58.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[(2E,4E,6Z,8Z)-2-ethenyl-4-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-3,5-dimethylundeca-2,4,6,8-tetraenyl]-N-[(E)-prop-1-enyl]aniline with MolForge

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Related Compounds

CID 7603
CID 7603
CID 7569
CID 7569
CID 66028
CID 66028
CID 91984
CID 91984
CID 15735
CID 15735
CID 69137
CID 69137
CID 7201
CID 7201
CID 5376919
CID 5376919
CID 79403
CID 79403
CID 61164
CID 61164
CID 69177
CID 69177
CID 69675
CID 69675

Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4E,6Z,8Z)-2-ethenyl-4-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-3,5-dimethylundeca-2,4,6,8-tetraenyl]-N-[(E)-prop-1-enyl]aniline?
The IUPAC name of 4-[(2E,4E,6Z,8Z)-2-ethenyl-4-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-3,5-dimethylundeca-2,4,6,8-tetraenyl]-N-[(E)-prop-1-enyl]aniline (CID 144639427) is 4-[(2E,4E,6Z,8Z)-2-ethenyl-4-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-3,5-dimethylundeca-2,4,6,8-tetraenyl]-N-[(E)-prop-1-enyl]aniline.
What is the SMILES notation for 4-[(2E,4E,6Z,8Z)-2-ethenyl-4-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-3,5-dimethylundeca-2,4,6,8-tetraenyl]-N-[(E)-prop-1-enyl]aniline?
The canonical SMILES for 4-[(2E,4E,6Z,8Z)-2-ethenyl-4-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-3,5-dimethylundeca-2,4,6,8-tetraenyl]-N-[(E)-prop-1-enyl]aniline is C#C/C=C\C=C(C)\C(C(/C)=C(\C=C)Cc1ccc(N/C=C/C)cc1)=C(C)/C=C\C=C/CC.
What is the InChIKey of 4-[(2E,4E,6Z,8Z)-2-ethenyl-4-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-3,5-dimethylundeca-2,4,6,8-tetraenyl]-N-[(E)-prop-1-enyl]aniline?
The InChIKey is BZBBXGSNMGZYKK-GIAKZVLRSA-N. The full InChI is InChI=1S/C31H37N/c1-8-12-14-16-18-26(6)31(25(5)17-15-13-9-2)27(7)29(11-4)24-28-19-21-30(22-20-28)32-23-10-3/h2,10-23,32H,4,8,24H2,1,3,5-7H3/b14-12-,15-13-,18-16-,23-10+,25-17+,29-27-,31-26+.
What are the key properties of 4-[(2E,4E,6Z,8Z)-2-ethenyl-4-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-3,5-dimethylundeca-2,4,6,8-tetraenyl]-N-[(E)-prop-1-enyl]aniline?
4-[(2E,4E,6Z,8Z)-2-ethenyl-4-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-3,5-dimethylundeca-2,4,6,8-tetraenyl]-N-[(E)-prop-1-enyl]aniline has a molecular weight of 423.64 g/mol, XLogP of 8.65, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4E,6Z,8Z)-2-ethenyl-4-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-3,5-dimethylundeca-2,4,6,8-tetraenyl]-N-[(E)-prop-1-enyl]aniline is sourced from PubChem (CID 144639427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).