2-(6-phenylhexa-1,3,5-trienyl)naphthalene

C22H18 — CID 2818391

IUPAC2-(6-phenylhexa-1,3,5-trienyl)naphthalene
SMILESC(=CC=Cc1ccc2ccccc2c1)C=Cc1ccccc1
InChIInChI=1S/C22H18/c1(4-10-19-11-6-3-7-12-19)2-5-13-20-16-17-21-14-8-9-15-22(21)18-20/h1-18H
InChIKeyFVHQIEVOPVGNMM-UHFFFAOYSA-N
MW282.39 g/mol
LogP6.12
Rot. Bonds4

About 2-(6-phenylhexa-1,3,5-trienyl)naphthalene

2-(6-phenylhexa-1,3,5-trienyl)naphthalene (PubChem CID 2818391) has the molecular formula C22H18 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(6-phenylhexa-1,3,5-trienyl)naphthalene.

Molecular Properties

Compound Name2-(6-phenylhexa-1,3,5-trienyl)naphthalene
PubChem CID2818391
Molecular FormulaC22H18
Molecular Weight282.39 g/mol
Exact Mass282.14
IUPAC Name2-(6-phenylhexa-1,3,5-trienyl)naphthalene
SMILESC(=CC=Cc1ccc2ccccc2c1)C=Cc1ccccc1
InChIInChI=1S/C22H18/c1(4-10-19-11-6-3-7-12-19)2-5-13-20-16-17-21-14-8-9-15-22(21)18-20/h1-18H
InChIKeyFVHQIEVOPVGNMM-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.39
LogP ≤ 56.12
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

2-[(E)-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene
CID 20801533
2-[(1E,3E)-penta-1,3-dienyl]naphthalene
CID 135079977
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
2-[2-[4-(2-tetracen-2-ylethenyl)phenyl]ethenyl]tetracene
CID 76589902
4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
2-(4-naphthalen-2-ylbuta-1,3-dienyl)pyridine
CID 90870778
2-[(Z)-2-anthracen-2-ylethenyl]anthracene
CID 101144533
2-naphthalen-2-ylethenol
CID 67195423
2-[(E)-2-[4-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]selanylphenyl]ethenyl]naphthalene
CID 59156066
tris[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]phosphane
CID 58942119
4-[(E)-2-anthracen-2-ylethenyl]-N,N-diphenylaniline
CID 20801910

Frequently Asked Questions

What is the IUPAC name of 2-(6-phenylhexa-1,3,5-trienyl)naphthalene?
The IUPAC name of 2-(6-phenylhexa-1,3,5-trienyl)naphthalene (CID 2818391) is 2-(6-phenylhexa-1,3,5-trienyl)naphthalene.
What is the SMILES notation for 2-(6-phenylhexa-1,3,5-trienyl)naphthalene?
The canonical SMILES for 2-(6-phenylhexa-1,3,5-trienyl)naphthalene is C(=CC=Cc1ccc2ccccc2c1)C=Cc1ccccc1.
What is the InChIKey of 2-(6-phenylhexa-1,3,5-trienyl)naphthalene?
The InChIKey is FVHQIEVOPVGNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18/c1(4-10-19-11-6-3-7-12-19)2-5-13-20-16-17-21-14-8-9-15-22(21)18-20/h1-18H.
What are the key properties of 2-(6-phenylhexa-1,3,5-trienyl)naphthalene?
2-(6-phenylhexa-1,3,5-trienyl)naphthalene has a molecular weight of 282.39 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenylhexa-1,3,5-trienyl)naphthalene is sourced from PubChem (CID 2818391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).