(3E,5Z)-N-[(1E)-1-[(4Z,5E)-3-ethenyl-4,5-bis(prop-2-enylidene)thiophen-2-yl]buta-1,3-dienyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-3-amine

C30H31NS — CID 134313651

IUPAC(3E,5Z)-N-[(1E)-1-[(4Z,5E)-3-ethenyl-4,5-bis(prop-2-enylidene)thiophen-2-yl]buta-1,3-dienyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-3-amine
SMILESC=C/C=C\C=C(/C=C)N(/C(C=C)=C/C=C)/C(=C/C=C)c1sc(=C/C=C)/c(=C\C=C)c1C=C
InChIInChI=1S/C30H31NS/c1-9-17-18-23-25(15-7)31(24(14-6)19-10-2)28(21-12-4)30-26(16-8)27(20-11-3)29(32-30)22-13-5/h9-23H,1-8H2/b18-17-,24-19+,25-23+,27-20-,28-21+,29-22+
InChIKeyXZQDXWIBEZEQJH-PIRYREDDSA-N
MW437.65 g/mol
LogP7.22
Rot. Bonds13

About (3E,5Z)-N-[(1E)-1-[(4Z,5E)-3-ethenyl-4,5-bis(prop-2-enylidene)thiophen-2-yl]buta-1,3-dienyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-3-amine

(3E,5Z)-N-[(1E)-1-[(4Z,5E)-3-ethenyl-4,5-bis(prop-2-enylidene)thiophen-2-yl]buta-1,3-dienyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-3-amine (PubChem CID 134313651) has the molecular formula C30H31NS and a molecular weight of 437.65 g/mol. Its IUPAC name is (3E,5Z)-N-[(1E)-1-[(4Z,5E)-3-ethenyl-4,5-bis(prop-2-enylidene)thiophen-2-yl]buta-1,3-dienyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-3-amine.

Molecular Properties

Compound Name(3E,5Z)-N-[(1E)-1-[(4Z,5E)-3-ethenyl-4,5-bis(prop-2-enylidene)thiophen-2-yl]buta-1,3-dienyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-3-amine
PubChem CID134313651
Molecular FormulaC30H31NS
Molecular Weight437.65 g/mol
Exact Mass437.22
IUPAC Name(3E,5Z)-N-[(1E)-1-[(4Z,5E)-3-ethenyl-4,5-bis(prop-2-enylidene)thiophen-2-yl]buta-1,3-dienyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-3-amine
SMILESC=C/C=C\C=C(/C=C)N(/C(C=C)=C/C=C)/C(=C/C=C)c1sc(=C/C=C)/c(=C\C=C)c1C=C
InChIInChI=1S/C30H31NS/c1-9-17-18-23-25(15-7)31(24(14-6)19-10-2)28(21-12-4)30-26(16-8)27(20-11-3)29(32-30)22-13-5/h9-23H,1-8H2/b18-17-,24-19+,25-23+,27-20-,28-21+,29-22+
InChIKeyXZQDXWIBEZEQJH-PIRYREDDSA-N
XLogP7.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.65
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E,5Z)-N-[(1E)-1-[(4Z,5E)-3-ethenyl-4,5-bis(prop-2-enylidene)thiophen-2-yl]buta-1,3-dienyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N-[(1E)-1-[(4Z,5E)-3-ethenyl-4,5-bis(prop-2-enylidene)thiophen-2-yl]buta-1,3-dienyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-3-amine?
The IUPAC name of (3E,5Z)-N-[(1E)-1-[(4Z,5E)-3-ethenyl-4,5-bis(prop-2-enylidene)thiophen-2-yl]buta-1,3-dienyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-3-amine (CID 134313651) is (3E,5Z)-N-[(1E)-1-[(4Z,5E)-3-ethenyl-4,5-bis(prop-2-enylidene)thiophen-2-yl]buta-1,3-dienyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-3-amine.
What is the SMILES notation for (3E,5Z)-N-[(1E)-1-[(4Z,5E)-3-ethenyl-4,5-bis(prop-2-enylidene)thiophen-2-yl]buta-1,3-dienyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-3-amine?
The canonical SMILES for (3E,5Z)-N-[(1E)-1-[(4Z,5E)-3-ethenyl-4,5-bis(prop-2-enylidene)thiophen-2-yl]buta-1,3-dienyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-3-amine is C=C/C=C\C=C(/C=C)N(/C(C=C)=C/C=C)/C(=C/C=C)c1sc(=C/C=C)/c(=C\C=C)c1C=C.
What is the InChIKey of (3E,5Z)-N-[(1E)-1-[(4Z,5E)-3-ethenyl-4,5-bis(prop-2-enylidene)thiophen-2-yl]buta-1,3-dienyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-3-amine?
The InChIKey is XZQDXWIBEZEQJH-PIRYREDDSA-N. The full InChI is InChI=1S/C30H31NS/c1-9-17-18-23-25(15-7)31(24(14-6)19-10-2)28(21-12-4)30-26(16-8)27(20-11-3)29(32-30)22-13-5/h9-23H,1-8H2/b18-17-,24-19+,25-23+,27-20-,28-21+,29-22+.
What are the key properties of (3E,5Z)-N-[(1E)-1-[(4Z,5E)-3-ethenyl-4,5-bis(prop-2-enylidene)thiophen-2-yl]buta-1,3-dienyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-3-amine?
(3E,5Z)-N-[(1E)-1-[(4Z,5E)-3-ethenyl-4,5-bis(prop-2-enylidene)thiophen-2-yl]buta-1,3-dienyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-3-amine has a molecular weight of 437.65 g/mol, XLogP of 7.22, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-[(1E)-1-[(4Z,5E)-3-ethenyl-4,5-bis(prop-2-enylidene)thiophen-2-yl]buta-1,3-dienyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-3-amine is sourced from PubChem (CID 134313651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).