(3E,5E,7E,9Z)-6,7-bis(ethenyl)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]undeca-1,3,5,7,9-pentaen-3-amine

C31H37N — CID 146531240

IUPAC(3E,5E,7E,9Z)-6,7-bis(ethenyl)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]undeca-1,3,5,7,9-pentaen-3-amine
SMILESC=C/C=C\C(=C/C=C)N(/C(C=C)=C/C=C(C=C)/C(C=C)=C/C=C\C)C(/C=C\C)=C/C=C\C
InChIInChI=1S/C31H37N/c1-9-17-22-27(14-6)28(15-7)25-26-29(16-8)32(30(20-12-4)23-18-10-2)31(21-13-5)24-19-11-3/h9-26H,2,4,6-8H2,1,3,5H3/b17-9-,19-11-,21-13-,23-18-,27-22+,28-25+,29-26+,30-20+,31-24+
InChIKeyODPXLNLJLCGIHU-OALWIOTJSA-N
MW423.64 g/mol
LogP9.01
Rot. Bonds14

About (3E,5E,7E,9Z)-6,7-bis(ethenyl)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]undeca-1,3,5,7,9-pentaen-3-amine

(3E,5E,7E,9Z)-6,7-bis(ethenyl)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]undeca-1,3,5,7,9-pentaen-3-amine (PubChem CID 146531240) has the molecular formula C31H37N and a molecular weight of 423.64 g/mol. Its IUPAC name is (3E,5E,7E,9Z)-6,7-bis(ethenyl)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]undeca-1,3,5,7,9-pentaen-3-amine.

Molecular Properties

Compound Name(3E,5E,7E,9Z)-6,7-bis(ethenyl)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]undeca-1,3,5,7,9-pentaen-3-amine
PubChem CID146531240
Molecular FormulaC31H37N
Molecular Weight423.64 g/mol
Exact Mass423.29
IUPAC Name(3E,5E,7E,9Z)-6,7-bis(ethenyl)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]undeca-1,3,5,7,9-pentaen-3-amine
SMILESC=C/C=C\C(=C/C=C)N(/C(C=C)=C/C=C(C=C)/C(C=C)=C/C=C\C)C(/C=C\C)=C/C=C\C
InChIInChI=1S/C31H37N/c1-9-17-22-27(14-6)28(15-7)25-26-29(16-8)32(30(20-12-4)23-18-10-2)31(21-13-5)24-19-11-3/h9-26H,2,4,6-8H2,1,3,5H3/b17-9-,19-11-,21-13-,23-18-,27-22+,28-25+,29-26+,30-20+,31-24+
InChIKeyODPXLNLJLCGIHU-OALWIOTJSA-N
XLogP9.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.64
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,5E,7E,9Z)-6,7-bis(ethenyl)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]undeca-1,3,5,7,9-pentaen-3-amine with MolForge

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Related Compounds

(3Z,5E,6E,8Z)-6-ethenyl-5-ethylidenedeca-1,3,6,8-tetraene
CID 142285656
(3E,5Z)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hepta-1,3,5-trien-4-amine
CID 139420267
4-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1-N-[4-(N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anilino)phenyl]-1-N-[4-(N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 154968336
N-acetyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide
CID 144531341
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[4-[4-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]amino]phenyl]phenyl]-N-phenylaniline
CID 155279550
(3E,5E,6Z,8E)-5-[(Z)-but-2-enylidene]-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraene
CID 145151868
(3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane
CID 142141594
N-[(3E,5Z,7E)-nona-1,3,5,7-tetraen-5-yl]-N-phenylaniline
CID 59889814
ethane;(3E,5Z)-N-ethyl-N-[(3E)-penta-1,3-dien-3-yl]hepta-1,3,5-trien-4-amine
CID 143203776
N,N-dimethylhepta-1,3,5-trien-4-amine
CID 72511358
4-ethenyl-5-ethylideneocta-1,3,6-triene
CID 123583886
(3E,6E,8Z)-4-methyl-6-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraen-5-one
CID 130346277

Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E,9Z)-6,7-bis(ethenyl)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]undeca-1,3,5,7,9-pentaen-3-amine?
The IUPAC name of (3E,5E,7E,9Z)-6,7-bis(ethenyl)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]undeca-1,3,5,7,9-pentaen-3-amine (CID 146531240) is (3E,5E,7E,9Z)-6,7-bis(ethenyl)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]undeca-1,3,5,7,9-pentaen-3-amine.
What is the SMILES notation for (3E,5E,7E,9Z)-6,7-bis(ethenyl)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]undeca-1,3,5,7,9-pentaen-3-amine?
The canonical SMILES for (3E,5E,7E,9Z)-6,7-bis(ethenyl)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]undeca-1,3,5,7,9-pentaen-3-amine is C=C/C=C\C(=C/C=C)N(/C(C=C)=C/C=C(C=C)/C(C=C)=C/C=C\C)C(/C=C\C)=C/C=C\C.
What is the InChIKey of (3E,5E,7E,9Z)-6,7-bis(ethenyl)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]undeca-1,3,5,7,9-pentaen-3-amine?
The InChIKey is ODPXLNLJLCGIHU-OALWIOTJSA-N. The full InChI is InChI=1S/C31H37N/c1-9-17-22-27(14-6)28(15-7)25-26-29(16-8)32(30(20-12-4)23-18-10-2)31(21-13-5)24-19-11-3/h9-26H,2,4,6-8H2,1,3,5H3/b17-9-,19-11-,21-13-,23-18-,27-22+,28-25+,29-26+,30-20+,31-24+.
What are the key properties of (3E,5E,7E,9Z)-6,7-bis(ethenyl)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]undeca-1,3,5,7,9-pentaen-3-amine?
(3E,5E,7E,9Z)-6,7-bis(ethenyl)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]undeca-1,3,5,7,9-pentaen-3-amine has a molecular weight of 423.64 g/mol, XLogP of 9.01, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E,9Z)-6,7-bis(ethenyl)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]undeca-1,3,5,7,9-pentaen-3-amine is sourced from PubChem (CID 146531240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).