2,3-bis(ethenyl)-1-[3-[(1E,3Z)-hexa-1,3,5-trienyl]-5-phenylphenyl]naphthalene

C32H26 — CID 140635940

IUPAC2,3-bis(ethenyl)-1-[3-[(1E,3Z)-hexa-1,3,5-trienyl]-5-phenylphenyl]naphthalene
SMILESC=C/C=C\C=C\c1cc(-c2ccccc2)cc(-c2c(C=C)c(C=C)cc3ccccc23)c1
InChIInChI=1S/C32H26/c1-4-7-8-10-15-24-20-28(26-16-11-9-12-17-26)23-29(21-24)32-30(6-3)25(5-2)22-27-18-13-14-19-31(27)32/h4-23H,1-3H2/b8-7-,15-10+
InChIKeyGFEAEFYHOSKCTR-XFOMCHIZSA-N
MW410.56 g/mol
LogP9.22
Rot. Bonds7

About 2,3-bis(ethenyl)-1-[3-[(1E,3Z)-hexa-1,3,5-trienyl]-5-phenylphenyl]naphthalene

2,3-bis(ethenyl)-1-[3-[(1E,3Z)-hexa-1,3,5-trienyl]-5-phenylphenyl]naphthalene (PubChem CID 140635940) has the molecular formula C32H26 and a molecular weight of 410.56 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-1-[3-[(1E,3Z)-hexa-1,3,5-trienyl]-5-phenylphenyl]naphthalene.

Molecular Properties

Compound Name2,3-bis(ethenyl)-1-[3-[(1E,3Z)-hexa-1,3,5-trienyl]-5-phenylphenyl]naphthalene
PubChem CID140635940
Molecular FormulaC32H26
Molecular Weight410.56 g/mol
Exact Mass410.20
IUPAC Name2,3-bis(ethenyl)-1-[3-[(1E,3Z)-hexa-1,3,5-trienyl]-5-phenylphenyl]naphthalene
SMILESC=C/C=C\C=C\c1cc(-c2ccccc2)cc(-c2c(C=C)c(C=C)cc3ccccc23)c1
InChIInChI=1S/C32H26/c1-4-7-8-10-15-24-20-28(26-16-11-9-12-17-26)23-29(21-24)32-30(6-3)25(5-2)22-27-18-13-14-19-31(27)32/h4-23H,1-3H2/b8-7-,15-10+
InChIKeyGFEAEFYHOSKCTR-XFOMCHIZSA-N
XLogP9.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 59.22
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

methyl 2,3-bis(ethenyl)naphthalene-1-sulfonate
CID 150256268
[(1E,3Z)-hexa-1,3,5-trienyl]benzene
CID 12714123
9-[(1Z,3E)-4-phenylbuta-1,3-dienyl]anthracene
CID 101210227
1,2-bis(ethenyl)-7-phenylnaphthalene
CID 145141222
1-[2,3,5,6-tetrakis(ethenyl)phenyl]naphthalene
CID 123541767
[2,3-bis(ethenyl)naphthalen-1-yl]boronic acid;ethane
CID 142377515
4-[3-[3,4-bis(ethenyl)naphthalen-1-yl]phenyl]-2-(3-phenanthren-9-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 144860255
2,3-bis(ethenyl)-1-propylnaphthalene
CID 143956206
N-[4-[2-[4-(N-[3-[(1Z)-buta-1,3-dienyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 134321199
1,3-bis(ethenyl)-5-phenylbenzene
CID 101418912
3-[(1E)-hexa-1,5-dienyl]-N,N-bis(4-phenanthren-9-ylphenyl)-5-phenylaniline
CID 159312251
9,10-bis(ethenyl)-6-(3-phenanthren-9-ylphenyl)-2-phenylphenanthrene
CID 143742613

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-1-[3-[(1E,3Z)-hexa-1,3,5-trienyl]-5-phenylphenyl]naphthalene?
The IUPAC name of 2,3-bis(ethenyl)-1-[3-[(1E,3Z)-hexa-1,3,5-trienyl]-5-phenylphenyl]naphthalene (CID 140635940) is 2,3-bis(ethenyl)-1-[3-[(1E,3Z)-hexa-1,3,5-trienyl]-5-phenylphenyl]naphthalene.
What is the SMILES notation for 2,3-bis(ethenyl)-1-[3-[(1E,3Z)-hexa-1,3,5-trienyl]-5-phenylphenyl]naphthalene?
The canonical SMILES for 2,3-bis(ethenyl)-1-[3-[(1E,3Z)-hexa-1,3,5-trienyl]-5-phenylphenyl]naphthalene is C=C/C=C\C=C\c1cc(-c2ccccc2)cc(-c2c(C=C)c(C=C)cc3ccccc23)c1.
What is the InChIKey of 2,3-bis(ethenyl)-1-[3-[(1E,3Z)-hexa-1,3,5-trienyl]-5-phenylphenyl]naphthalene?
The InChIKey is GFEAEFYHOSKCTR-XFOMCHIZSA-N. The full InChI is InChI=1S/C32H26/c1-4-7-8-10-15-24-20-28(26-16-11-9-12-17-26)23-29(21-24)32-30(6-3)25(5-2)22-27-18-13-14-19-31(27)32/h4-23H,1-3H2/b8-7-,15-10+.
What are the key properties of 2,3-bis(ethenyl)-1-[3-[(1E,3Z)-hexa-1,3,5-trienyl]-5-phenylphenyl]naphthalene?
2,3-bis(ethenyl)-1-[3-[(1E,3Z)-hexa-1,3,5-trienyl]-5-phenylphenyl]naphthalene has a molecular weight of 410.56 g/mol, XLogP of 9.22, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-1-[3-[(1E,3Z)-hexa-1,3,5-trienyl]-5-phenylphenyl]naphthalene is sourced from PubChem (CID 140635940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).