(2E,3Z)-3-ethylidene-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1-phenyl-2-prop-2-enylideneindene

C28H26 — CID 175618612

IUPAC(2E,3Z)-3-ethylidene-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1-phenyl-2-prop-2-enylideneindene
SMILESC=C/C=C\C(=C/C=C)C1(c2ccccc2)C(=C/C=C)/C(=C\C)c2ccccc21
InChIInChI=1S/C28H26/c1-5-9-17-22(15-6-2)28(23-18-11-10-12-19-23)26(16-7-3)24(8-4)25-20-13-14-21-27(25)28/h5-21H,1-3H2,4H3/b17-9-,22-15+,24-8-,26-16+
InChIKeySJBHHLPTTAORPE-BIOGFMMDSA-N
MW362.52 g/mol
LogP7.36
Rot. Bonds6

About (2E,3Z)-3-ethylidene-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1-phenyl-2-prop-2-enylideneindene

(2E,3Z)-3-ethylidene-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1-phenyl-2-prop-2-enylideneindene (PubChem CID 175618612) has the molecular formula C28H26 and a molecular weight of 362.52 g/mol. Its IUPAC name is (2E,3Z)-3-ethylidene-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1-phenyl-2-prop-2-enylideneindene.

Molecular Properties

Compound Name(2E,3Z)-3-ethylidene-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1-phenyl-2-prop-2-enylideneindene
PubChem CID175618612
Molecular FormulaC28H26
Molecular Weight362.52 g/mol
Exact Mass362.20
IUPAC Name(2E,3Z)-3-ethylidene-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1-phenyl-2-prop-2-enylideneindene
SMILESC=C/C=C\C(=C/C=C)C1(c2ccccc2)C(=C/C=C)/C(=C\C)c2ccccc21
InChIInChI=1S/C28H26/c1-5-9-17-22(15-6-2)28(23-18-11-10-12-19-23)26(16-7-3)24(8-4)25-20-13-14-21-27(25)28/h5-21H,1-3H2,4H3/b17-9-,22-15+,24-8-,26-16+
InChIKeySJBHHLPTTAORPE-BIOGFMMDSA-N
XLogP7.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3E,4E)-5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-phenyl-3,4-bis(prop-2-enylidene)oxolan-2-one
CID 138616038
9-[(3E)-hexa-1,3,5-trien-3-yl]-9-[(3Z,5E,7Z)-nona-1,3,5,7-tetraen-5-yl]fluorene
CID 145055361
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3,3-dimethyl-1-phenylinden-2-one
CID 138623375
3-[3-(4-ethylphenyl)phenyl]-9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-9-phenylfluorene
CID 142385277
3-ethenyl-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]indene
CID 143139449
9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N,N,3-tris(4-phenylphenyl)fluoren-2-amine
CID 142515593
(2'E,3'Z)-2-[(1Z)-buta-1,3-dienyl]-2',3'-di(ethylidene)-1-methylspiro[cyclopentene-3,1'-indene]
CID 143027775
(3E)-N-[(Z)-[(3Z)-1,1-dimethyl-3-prop-2-enylideneinden-2-ylidene]methyl]-1-phenylhexa-1,3,5-trien-3-amine
CID 145362304
9-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-9-phenylfluorene
CID 163640808
9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-[(2E,4Z)-hexa-2,4-dien-2-yl]fluorene
CID 144566390
ethane;methane;(3E)-2-methylidene-1,1-diphenyl-3-prop-2-enylideneindene
CID 144920231
2-[(1Z)-buta-1,3-dienyl]-3-methyl-1,1-diphenylindene;ethane
CID 144939111

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-3-ethylidene-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1-phenyl-2-prop-2-enylideneindene?
The IUPAC name of (2E,3Z)-3-ethylidene-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1-phenyl-2-prop-2-enylideneindene (CID 175618612) is (2E,3Z)-3-ethylidene-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1-phenyl-2-prop-2-enylideneindene.
What is the SMILES notation for (2E,3Z)-3-ethylidene-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1-phenyl-2-prop-2-enylideneindene?
The canonical SMILES for (2E,3Z)-3-ethylidene-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1-phenyl-2-prop-2-enylideneindene is C=C/C=C\C(=C/C=C)C1(c2ccccc2)C(=C/C=C)/C(=C\C)c2ccccc21.
What is the InChIKey of (2E,3Z)-3-ethylidene-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1-phenyl-2-prop-2-enylideneindene?
The InChIKey is SJBHHLPTTAORPE-BIOGFMMDSA-N. The full InChI is InChI=1S/C28H26/c1-5-9-17-22(15-6-2)28(23-18-11-10-12-19-23)26(16-7-3)24(8-4)25-20-13-14-21-27(25)28/h5-21H,1-3H2,4H3/b17-9-,22-15+,24-8-,26-16+.
What are the key properties of (2E,3Z)-3-ethylidene-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1-phenyl-2-prop-2-enylideneindene?
(2E,3Z)-3-ethylidene-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1-phenyl-2-prop-2-enylideneindene has a molecular weight of 362.52 g/mol, XLogP of 7.36, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-3-ethylidene-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1-phenyl-2-prop-2-enylideneindene is sourced from PubChem (CID 175618612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).