1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-5-(4-methylphenyl)naphthalene

C24H22 — CID 143516756

IUPAC1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-5-(4-methylphenyl)naphthalene
SMILESC=C(C)/C=C\C(=C)c1cccc2c(-c3ccc(C)cc3)cccc12
InChIInChI=1S/C24H22/c1-17(2)11-14-19(4)21-7-5-10-24-22(8-6-9-23(21)24)20-15-12-18(3)13-16-20/h5-16H,1,4H2,2-3H3/b14-11-
InChIKeyPYBKTKILAYBEEE-KAMYIIQDSA-N
MW310.44 g/mol
LogP6.96
Rot. Bonds4

About 1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-5-(4-methylphenyl)naphthalene

1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-5-(4-methylphenyl)naphthalene (PubChem CID 143516756) has the molecular formula C24H22 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-5-(4-methylphenyl)naphthalene.

Molecular Properties

Compound Name1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-5-(4-methylphenyl)naphthalene
PubChem CID143516756
Molecular FormulaC24H22
Molecular Weight310.44 g/mol
Exact Mass310.17
IUPAC Name1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-5-(4-methylphenyl)naphthalene
SMILESC=C(C)/C=C\C(=C)c1cccc2c(-c3ccc(C)cc3)cccc12
InChIInChI=1S/C24H22/c1-17(2)11-14-19(4)21-7-5-10-24-22(8-6-9-23(21)24)20-15-12-18(3)13-16-20/h5-16H,1,4H2,2-3H3/b14-11-
InChIKeyPYBKTKILAYBEEE-KAMYIIQDSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 56.96
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-[4-(3-methylbuta-1,3-dienyl)phenyl]naphthalene
CID 123732172
1-(4-methoxyphenyl)-5-(4-methylphenyl)naphthalene
CID 142669243
4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-6-phenyldibenzothiophene
CID 144661693
2-ethenyl-1-(4-methylphenyl)-3-[1-(4-methylphenyl)ethenyl]benzene
CID 143516741
N-[4-[2-ethenoxy-3-[(3Z)-penta-1,3-dien-2-yl]phenyl]phenyl]-4-phenylaniline
CID 142301780
1-[4-(4-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)phenyl]naphthalene
CID 143808813
1,2-bis(prop-1-en-2-yl)benzene;1,4-xylene
CID 143494216
4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6-(4-methylphenyl)dibenzothiophene
CID 144687861
(2E,4Z)-6-(6-phenyldibenzothiophen-4-yl)hepta-2,4,6-trien-3-amine
CID 90135832
1-methyl-3-(2-prop-1-en-2-ylphenyl)benzene
CID 145437903
ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;toluene
CID 144678741
1-[4-[(1E,4Z)-2,6-dimethyl-3-methylidenehepta-1,4,6-trienyl]-3-ethylphenyl]-4-[4-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalene
CID 143743553

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-5-(4-methylphenyl)naphthalene?
The IUPAC name of 1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-5-(4-methylphenyl)naphthalene (CID 143516756) is 1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-5-(4-methylphenyl)naphthalene.
What is the SMILES notation for 1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-5-(4-methylphenyl)naphthalene?
The canonical SMILES for 1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-5-(4-methylphenyl)naphthalene is C=C(C)/C=C\C(=C)c1cccc2c(-c3ccc(C)cc3)cccc12.
What is the InChIKey of 1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-5-(4-methylphenyl)naphthalene?
The InChIKey is PYBKTKILAYBEEE-KAMYIIQDSA-N. The full InChI is InChI=1S/C24H22/c1-17(2)11-14-19(4)21-7-5-10-24-22(8-6-9-23(21)24)20-15-12-18(3)13-16-20/h5-16H,1,4H2,2-3H3/b14-11-.
What are the key properties of 1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-5-(4-methylphenyl)naphthalene?
1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-5-(4-methylphenyl)naphthalene has a molecular weight of 310.44 g/mol, XLogP of 6.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-5-(4-methylphenyl)naphthalene is sourced from PubChem (CID 143516756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).