(2Z,5E,6Z)-N-ethenyl-8-(2-methylphenyl)-5-[2-(2-methylphenyl)prop-2-enylidene]nona-2,6,8-trien-4-imine

C28H29N — CID 155027630

IUPAC(2Z,5E,6Z)-N-ethenyl-8-(2-methylphenyl)-5-[2-(2-methylphenyl)prop-2-enylidene]nona-2,6,8-trien-4-imine
SMILESC=C/N=C(\C=C/C)C(/C=C\C(=C)c1ccccc1C)=C/C(=C)c1ccccc1C
InChIInChI=1S/C28H29N/c1-7-13-28(29-8-2)25(20-24(6)27-17-12-10-15-22(27)4)19-18-23(5)26-16-11-9-14-21(26)3/h7-20H,2,5-6H2,1,3-4H3/b13-7-,19-18-,25-20+,29-28+
InChIKeyXMDUSVBNTRYUEI-FJBURJLDSA-N
MW379.55 g/mol
LogP7.67
Rot. Bonds8

About (2Z,5E,6Z)-N-ethenyl-8-(2-methylphenyl)-5-[2-(2-methylphenyl)prop-2-enylidene]nona-2,6,8-trien-4-imine

(2Z,5E,6Z)-N-ethenyl-8-(2-methylphenyl)-5-[2-(2-methylphenyl)prop-2-enylidene]nona-2,6,8-trien-4-imine (PubChem CID 155027630) has the molecular formula C28H29N and a molecular weight of 379.55 g/mol. Its IUPAC name is (2Z,5E,6Z)-N-ethenyl-8-(2-methylphenyl)-5-[2-(2-methylphenyl)prop-2-enylidene]nona-2,6,8-trien-4-imine.

Molecular Properties

Compound Name(2Z,5E,6Z)-N-ethenyl-8-(2-methylphenyl)-5-[2-(2-methylphenyl)prop-2-enylidene]nona-2,6,8-trien-4-imine
PubChem CID155027630
Molecular FormulaC28H29N
Molecular Weight379.55 g/mol
Exact Mass379.23
IUPAC Name(2Z,5E,6Z)-N-ethenyl-8-(2-methylphenyl)-5-[2-(2-methylphenyl)prop-2-enylidene]nona-2,6,8-trien-4-imine
SMILESC=C/N=C(\C=C/C)C(/C=C\C(=C)c1ccccc1C)=C/C(=C)c1ccccc1C
InChIInChI=1S/C28H29N/c1-7-13-28(29-8-2)25(20-24(6)27-17-12-10-15-22(27)4)19-18-23(5)26-16-11-9-14-21(26)3/h7-20H,2,5-6H2,1,3-4H3/b13-7-,19-18-,25-20+,29-28+
InChIKeyXMDUSVBNTRYUEI-FJBURJLDSA-N
XLogP7.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.55
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-[(3E,5Z)-4-(2-methylphenyl)hepta-1,3,5-trien-2-yl]benzene
CID 144508222
1-methyl-2-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]benzene
CID 142567671
1-(3-ethenylhepta-1,3,5-trien-4-yl)-2-methylbenzene
CID 123213362
(2E)-N,2-dimethyl-4-(2-methylphenyl)penta-2,4-dien-1-amine
CID 145429144
2-penta-1,3-dien-2-ylphenol
CID 123148511
1-methyl-2-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]benzene
CID 144820853
(1E,3Z)-2-buta-1,3-dien-2-yl-1-(2-methylphenyl)penta-1,3-dien-1-amine
CID 146556302
1-methyl-2-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]benzene
CID 142414325
ethene;1-methyl-2-prop-1-en-2-ylbenzene
CID 142947701
N'-ethenyl-2-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]benzenecarboximidamide;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 166131614
2-methylidene-1-(2-methylphenyl)but-3-en-1-one
CID 163236678
(Z)-N-ethenyl-1-phenylbut-2-en-1-imine
CID 130193571

Frequently Asked Questions

What is the IUPAC name of (2Z,5E,6Z)-N-ethenyl-8-(2-methylphenyl)-5-[2-(2-methylphenyl)prop-2-enylidene]nona-2,6,8-trien-4-imine?
The IUPAC name of (2Z,5E,6Z)-N-ethenyl-8-(2-methylphenyl)-5-[2-(2-methylphenyl)prop-2-enylidene]nona-2,6,8-trien-4-imine (CID 155027630) is (2Z,5E,6Z)-N-ethenyl-8-(2-methylphenyl)-5-[2-(2-methylphenyl)prop-2-enylidene]nona-2,6,8-trien-4-imine.
What is the SMILES notation for (2Z,5E,6Z)-N-ethenyl-8-(2-methylphenyl)-5-[2-(2-methylphenyl)prop-2-enylidene]nona-2,6,8-trien-4-imine?
The canonical SMILES for (2Z,5E,6Z)-N-ethenyl-8-(2-methylphenyl)-5-[2-(2-methylphenyl)prop-2-enylidene]nona-2,6,8-trien-4-imine is C=C/N=C(\C=C/C)C(/C=C\C(=C)c1ccccc1C)=C/C(=C)c1ccccc1C.
What is the InChIKey of (2Z,5E,6Z)-N-ethenyl-8-(2-methylphenyl)-5-[2-(2-methylphenyl)prop-2-enylidene]nona-2,6,8-trien-4-imine?
The InChIKey is XMDUSVBNTRYUEI-FJBURJLDSA-N. The full InChI is InChI=1S/C28H29N/c1-7-13-28(29-8-2)25(20-24(6)27-17-12-10-15-22(27)4)19-18-23(5)26-16-11-9-14-21(26)3/h7-20H,2,5-6H2,1,3-4H3/b13-7-,19-18-,25-20+,29-28+.
What are the key properties of (2Z,5E,6Z)-N-ethenyl-8-(2-methylphenyl)-5-[2-(2-methylphenyl)prop-2-enylidene]nona-2,6,8-trien-4-imine?
(2Z,5E,6Z)-N-ethenyl-8-(2-methylphenyl)-5-[2-(2-methylphenyl)prop-2-enylidene]nona-2,6,8-trien-4-imine has a molecular weight of 379.55 g/mol, XLogP of 7.67, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E,6Z)-N-ethenyl-8-(2-methylphenyl)-5-[2-(2-methylphenyl)prop-2-enylidene]nona-2,6,8-trien-4-imine is sourced from PubChem (CID 155027630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).