(3Z,5E,7E,8Z)-7-ethylidene-2,4-dimethylidene-3-[(2-methylphenyl)-phenylmethylidene]deca-5,8-dien-1-amine

C28H31N — CID 167131990

IUPAC(3Z,5E,7E,8Z)-7-ethylidene-2,4-dimethylidene-3-[(2-methylphenyl)-phenylmethylidene]deca-5,8-dien-1-amine
SMILESC=C(/C=C/C(/C=C\C)=C/C)C(C(=C)CN)=C(c1ccccc1)c1ccccc1C
InChIInChI=1S/C28H31N/c1-6-13-24(7-2)19-18-22(4)27(23(5)20-29)28(25-15-9-8-10-16-25)26-17-12-11-14-21(26)3/h6-19H,4-5,20,29H2,1-3H3/b13-6-,19-18+,24-7+,28-27-
InChIKeySEOURTNCBWBXLC-LXRKOADLSA-N
MW381.56 g/mol
LogP6.95
Rot. Bonds8

About (3Z,5E,7E,8Z)-7-ethylidene-2,4-dimethylidene-3-[(2-methylphenyl)-phenylmethylidene]deca-5,8-dien-1-amine

(3Z,5E,7E,8Z)-7-ethylidene-2,4-dimethylidene-3-[(2-methylphenyl)-phenylmethylidene]deca-5,8-dien-1-amine (PubChem CID 167131990) has the molecular formula C28H31N and a molecular weight of 381.56 g/mol. Its IUPAC name is (3Z,5E,7E,8Z)-7-ethylidene-2,4-dimethylidene-3-[(2-methylphenyl)-phenylmethylidene]deca-5,8-dien-1-amine.

Molecular Properties

Compound Name(3Z,5E,7E,8Z)-7-ethylidene-2,4-dimethylidene-3-[(2-methylphenyl)-phenylmethylidene]deca-5,8-dien-1-amine
PubChem CID167131990
Molecular FormulaC28H31N
Molecular Weight381.56 g/mol
Exact Mass381.25
IUPAC Name(3Z,5E,7E,8Z)-7-ethylidene-2,4-dimethylidene-3-[(2-methylphenyl)-phenylmethylidene]deca-5,8-dien-1-amine
SMILESC=C(/C=C/C(/C=C\C)=C/C)C(C(=C)CN)=C(c1ccccc1)c1ccccc1C
InChIInChI=1S/C28H31N/c1-6-13-24(7-2)19-18-22(4)27(23(5)20-29)28(25-15-9-8-10-16-25)26-17-12-11-14-21(26)3/h6-19H,4-5,20,29H2,1-3H3/b13-6-,19-18+,24-7+,28-27-
InChIKeySEOURTNCBWBXLC-LXRKOADLSA-N
XLogP6.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(2E,5E,7E)-7-ethenyl-4-methylidene-3-prop-1-en-2-ylnona-2,5,7-trien-2-yl]-2-methylbenzene
CID 142303292
(2E,4E,5Z)-4-ethylidene-1-phenylhepta-2,5-dien-1-one
CID 143297607
(1E,3Z)-2-buta-1,3-dien-2-yl-1-(2-methylphenyl)penta-1,3-dien-1-amine
CID 146556302
ethane;1-methyl-2-[(3Z)-3-phenylpenta-1,3-dien-2-yl]benzene
CID 143592596
3-(2-methylphenyl)-3-phenylprop-2-en-1-amine
CID 131859830
1-methyl-2-(1-phenylprop-1-enyl)benzene
CID 54442405
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
1-aminopropan-2-one;(2-methylphenyl)-phenylmethanone
CID 143285715
1-methyl-2-[(3E,5Z)-4-(2-methylphenyl)hepta-1,3,5-trien-2-yl]benzene
CID 144508222
[(2E,5Z)-4-methylidenehepta-2,5-dien-3-yl]benzene
CID 153494817
1-[(2Z,4E)-5,7-dimethylocta-2,4,7-trien-4-yl]-2-methylbenzene;ethane
CID 144660459
ethane;[(3Z)-penta-1,3-dien-2-yl]benzene
CID 142853648

Frequently Asked Questions

What is the IUPAC name of (3Z,5E,7E,8Z)-7-ethylidene-2,4-dimethylidene-3-[(2-methylphenyl)-phenylmethylidene]deca-5,8-dien-1-amine?
The IUPAC name of (3Z,5E,7E,8Z)-7-ethylidene-2,4-dimethylidene-3-[(2-methylphenyl)-phenylmethylidene]deca-5,8-dien-1-amine (CID 167131990) is (3Z,5E,7E,8Z)-7-ethylidene-2,4-dimethylidene-3-[(2-methylphenyl)-phenylmethylidene]deca-5,8-dien-1-amine.
What is the SMILES notation for (3Z,5E,7E,8Z)-7-ethylidene-2,4-dimethylidene-3-[(2-methylphenyl)-phenylmethylidene]deca-5,8-dien-1-amine?
The canonical SMILES for (3Z,5E,7E,8Z)-7-ethylidene-2,4-dimethylidene-3-[(2-methylphenyl)-phenylmethylidene]deca-5,8-dien-1-amine is C=C(/C=C/C(/C=C\C)=C/C)C(C(=C)CN)=C(c1ccccc1)c1ccccc1C.
What is the InChIKey of (3Z,5E,7E,8Z)-7-ethylidene-2,4-dimethylidene-3-[(2-methylphenyl)-phenylmethylidene]deca-5,8-dien-1-amine?
The InChIKey is SEOURTNCBWBXLC-LXRKOADLSA-N. The full InChI is InChI=1S/C28H31N/c1-6-13-24(7-2)19-18-22(4)27(23(5)20-29)28(25-15-9-8-10-16-25)26-17-12-11-14-21(26)3/h6-19H,4-5,20,29H2,1-3H3/b13-6-,19-18+,24-7+,28-27-.
What are the key properties of (3Z,5E,7E,8Z)-7-ethylidene-2,4-dimethylidene-3-[(2-methylphenyl)-phenylmethylidene]deca-5,8-dien-1-amine?
(3Z,5E,7E,8Z)-7-ethylidene-2,4-dimethylidene-3-[(2-methylphenyl)-phenylmethylidene]deca-5,8-dien-1-amine has a molecular weight of 381.56 g/mol, XLogP of 6.95, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,7E,8Z)-7-ethylidene-2,4-dimethylidene-3-[(2-methylphenyl)-phenylmethylidene]deca-5,8-dien-1-amine is sourced from PubChem (CID 167131990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).