1-(3-ethylidenehepta-1,4,6-trienyl)-4-naphthalen-1-ylnaphthalene

C29H24 — CID 123769075

IUPAC1-(3-ethylidenehepta-1,4,6-trienyl)-4-naphthalen-1-ylnaphthalene
SMILESC=CC=CC(C=Cc1ccc(-c2cccc3ccccc23)c2ccccc12)=CC
InChIInChI=1S/C29H24/c1-3-5-11-22(4-2)18-19-24-20-21-29(27-16-9-8-15-26(24)27)28-17-10-13-23-12-6-7-14-25(23)28/h3-21H,1H2,2H3
InChIKeyOMBJQCIXFPLSFX-UHFFFAOYSA-N
MW372.51 g/mol
LogP8.36
Rot. Bonds5

About 1-(3-ethylidenehepta-1,4,6-trienyl)-4-naphthalen-1-ylnaphthalene

1-(3-ethylidenehepta-1,4,6-trienyl)-4-naphthalen-1-ylnaphthalene (PubChem CID 123769075) has the molecular formula C29H24 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-(3-ethylidenehepta-1,4,6-trienyl)-4-naphthalen-1-ylnaphthalene.

Molecular Properties

Compound Name1-(3-ethylidenehepta-1,4,6-trienyl)-4-naphthalen-1-ylnaphthalene
PubChem CID123769075
Molecular FormulaC29H24
Molecular Weight372.51 g/mol
Exact Mass372.19
IUPAC Name1-(3-ethylidenehepta-1,4,6-trienyl)-4-naphthalen-1-ylnaphthalene
SMILESC=CC=CC(C=Cc1ccc(-c2cccc3ccccc23)c2ccccc12)=CC
InChIInChI=1S/C29H24/c1-3-5-11-22(4-2)18-19-24-20-21-29(27-16-9-8-15-26(24)27)28-17-10-13-23-12-6-7-14-25(23)28/h3-21H,1H2,2H3
InChIKeyOMBJQCIXFPLSFX-UHFFFAOYSA-N
XLogP8.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 58.36
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

1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
9-anthracen-9-yl-10-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracene
CID 140834610
9-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene
CID 123404005
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
CID 175282704
CID 175282704
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
(1E)-1-naphthalen-1-ylpenta-1,4-dien-3-one
CID 21417039
N,N-bis(4-methoxyphenyl)-4-[2-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]ethenyl]aniline
CID 59117636
9-(9,9-dimethylfluoren-2-yl)-10-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracene
CID 140834630
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
3-methyl-N-(3-methylphenyl)-N-[4-[10-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracen-9-yl]phenyl]aniline
CID 123173987

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylidenehepta-1,4,6-trienyl)-4-naphthalen-1-ylnaphthalene?
The IUPAC name of 1-(3-ethylidenehepta-1,4,6-trienyl)-4-naphthalen-1-ylnaphthalene (CID 123769075) is 1-(3-ethylidenehepta-1,4,6-trienyl)-4-naphthalen-1-ylnaphthalene.
What is the SMILES notation for 1-(3-ethylidenehepta-1,4,6-trienyl)-4-naphthalen-1-ylnaphthalene?
The canonical SMILES for 1-(3-ethylidenehepta-1,4,6-trienyl)-4-naphthalen-1-ylnaphthalene is C=CC=CC(C=Cc1ccc(-c2cccc3ccccc23)c2ccccc12)=CC.
What is the InChIKey of 1-(3-ethylidenehepta-1,4,6-trienyl)-4-naphthalen-1-ylnaphthalene?
The InChIKey is OMBJQCIXFPLSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24/c1-3-5-11-22(4-2)18-19-24-20-21-29(27-16-9-8-15-26(24)27)28-17-10-13-23-12-6-7-14-25(23)28/h3-21H,1H2,2H3.
What are the key properties of 1-(3-ethylidenehepta-1,4,6-trienyl)-4-naphthalen-1-ylnaphthalene?
1-(3-ethylidenehepta-1,4,6-trienyl)-4-naphthalen-1-ylnaphthalene has a molecular weight of 372.51 g/mol, XLogP of 8.36, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylidenehepta-1,4,6-trienyl)-4-naphthalen-1-ylnaphthalene is sourced from PubChem (CID 123769075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).