N-[(3Z,6E,8E,9Z)-8-ethylidene-5-methylideneundeca-1,3,6,9-tetraen-2-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]aniline

C26H31N — CID 126671211

IUPACN-[(3Z,6E,8E,9Z)-8-ethylidene-5-methylideneundeca-1,3,6,9-tetraen-2-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]aniline
SMILESC=C(/C=C\C(=C)N(C(/C=C\C)=C/C)c1ccccc1)/C=C/C(/C=C\C)=C/C
InChIInChI=1S/C26H31N/c1-7-14-24(9-3)21-19-22(5)18-20-23(6)27(25(10-4)15-8-2)26-16-12-11-13-17-26/h7-21H,5-6H2,1-4H3/b14-7-,15-8-,20-18-,21-19+,24-9+,25-10+
InChIKeyKQJMDTINKHOOJO-NARWLWLESA-N
MW357.54 g/mol
LogP7.68
Rot. Bonds9

About N-[(3Z,6E,8E,9Z)-8-ethylidene-5-methylideneundeca-1,3,6,9-tetraen-2-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]aniline

N-[(3Z,6E,8E,9Z)-8-ethylidene-5-methylideneundeca-1,3,6,9-tetraen-2-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]aniline (PubChem CID 126671211) has the molecular formula C26H31N and a molecular weight of 357.54 g/mol. Its IUPAC name is N-[(3Z,6E,8E,9Z)-8-ethylidene-5-methylideneundeca-1,3,6,9-tetraen-2-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]aniline.

Molecular Properties

Compound NameN-[(3Z,6E,8E,9Z)-8-ethylidene-5-methylideneundeca-1,3,6,9-tetraen-2-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]aniline
PubChem CID126671211
Molecular FormulaC26H31N
Molecular Weight357.54 g/mol
Exact Mass357.25
IUPAC NameN-[(3Z,6E,8E,9Z)-8-ethylidene-5-methylideneundeca-1,3,6,9-tetraen-2-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]aniline
SMILESC=C(/C=C\C(=C)N(C(/C=C\C)=C/C)c1ccccc1)/C=C/C(/C=C\C)=C/C
InChIInChI=1S/C26H31N/c1-7-14-24(9-3)21-19-22(5)18-20-23(6)27(25(10-4)15-8-2)26-16-12-11-13-17-26/h7-21H,5-6H2,1-4H3/b14-7-,15-8-,20-18-,21-19+,24-9+,25-10+
InChIKeyKQJMDTINKHOOJO-NARWLWLESA-N
XLogP7.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z,6E,8E,9Z)-8-ethylidene-5-methylideneundeca-1,3,6,9-tetraen-2-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]aniline?
The IUPAC name of N-[(3Z,6E,8E,9Z)-8-ethylidene-5-methylideneundeca-1,3,6,9-tetraen-2-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]aniline (CID 126671211) is N-[(3Z,6E,8E,9Z)-8-ethylidene-5-methylideneundeca-1,3,6,9-tetraen-2-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]aniline.
What is the SMILES notation for N-[(3Z,6E,8E,9Z)-8-ethylidene-5-methylideneundeca-1,3,6,9-tetraen-2-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]aniline?
The canonical SMILES for N-[(3Z,6E,8E,9Z)-8-ethylidene-5-methylideneundeca-1,3,6,9-tetraen-2-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]aniline is C=C(/C=C\C(=C)N(C(/C=C\C)=C/C)c1ccccc1)/C=C/C(/C=C\C)=C/C.
What is the InChIKey of N-[(3Z,6E,8E,9Z)-8-ethylidene-5-methylideneundeca-1,3,6,9-tetraen-2-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]aniline?
The InChIKey is KQJMDTINKHOOJO-NARWLWLESA-N. The full InChI is InChI=1S/C26H31N/c1-7-14-24(9-3)21-19-22(5)18-20-23(6)27(25(10-4)15-8-2)26-16-12-11-13-17-26/h7-21H,5-6H2,1-4H3/b14-7-,15-8-,20-18-,21-19+,24-9+,25-10+.
What are the key properties of N-[(3Z,6E,8E,9Z)-8-ethylidene-5-methylideneundeca-1,3,6,9-tetraen-2-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]aniline?
N-[(3Z,6E,8E,9Z)-8-ethylidene-5-methylideneundeca-1,3,6,9-tetraen-2-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]aniline has a molecular weight of 357.54 g/mol, XLogP of 7.68, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,6E,8E,9Z)-8-ethylidene-5-methylideneundeca-1,3,6,9-tetraen-2-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]aniline is sourced from PubChem (CID 126671211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).