1-[4-(4-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)phenyl]naphthalene

C26H24 — CID 143808813

IUPAC1-[4-(4-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)phenyl]naphthalene
SMILESC=C(C)C1=C(C)CCC(c2ccc(-c3cccc4ccccc34)cc2)=C1
InChIInChI=1S/C26H24/c1-18(2)26-17-23(12-11-19(26)3)20-13-15-22(16-14-20)25-10-6-8-21-7-4-5-9-24(21)25/h4-10,13-17H,1,11-12H2,2-3H3
InChIKeyITWKMLIEQZFRJE-UHFFFAOYSA-N
MW336.48 g/mol
LogP7.58
Rot. Bonds3

About 1-[4-(4-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)phenyl]naphthalene

1-[4-(4-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)phenyl]naphthalene (PubChem CID 143808813) has the molecular formula C26H24 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-[4-(4-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)phenyl]naphthalene.

Molecular Properties

Compound Name1-[4-(4-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)phenyl]naphthalene
PubChem CID143808813
Molecular FormulaC26H24
Molecular Weight336.48 g/mol
Exact Mass336.19
IUPAC Name1-[4-(4-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)phenyl]naphthalene
SMILESC=C(C)C1=C(C)CCC(c2ccc(-c3cccc4ccccc34)cc2)=C1
InChIInChI=1S/C26H24/c1-18(2)26-17-23(12-11-19(26)3)20-13-15-22(16-14-20)25-10-6-8-21-7-4-5-9-24(21)25/h4-10,13-17H,1,11-12H2,2-3H3
InChIKeyITWKMLIEQZFRJE-UHFFFAOYSA-N
XLogP7.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-(3-methylbuta-1,3-dienyl)phenyl]naphthalene
CID 123732172
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
1-[4-(2,3-dimethylphenyl)phenyl]naphthalene
CID 171799142
1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene
CID 59171646
9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
9,10-dimethyl-3-naphthalen-1-ylphenanthrene
CID 158591349
1-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]naphthalene
CID 102364058
ethane;1-(4-ethylphenyl)naphthalene
CID 143262541
2,3,5-trimethyl-6-(4-naphthalen-1-ylphenyl)pyrazine
CID 58461112
1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
CID 158274717
(E)-N-[1-[4-(4-methylphenyl)phenyl]ethenyl]-3-(4-naphthalen-1-ylphenyl)-1-phenylbut-2-en-1-imine
CID 166864208
4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]pyridine
CID 71174823

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)phenyl]naphthalene?
The IUPAC name of 1-[4-(4-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)phenyl]naphthalene (CID 143808813) is 1-[4-(4-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)phenyl]naphthalene.
What is the SMILES notation for 1-[4-(4-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)phenyl]naphthalene?
The canonical SMILES for 1-[4-(4-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)phenyl]naphthalene is C=C(C)C1=C(C)CCC(c2ccc(-c3cccc4ccccc34)cc2)=C1.
What is the InChIKey of 1-[4-(4-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)phenyl]naphthalene?
The InChIKey is ITWKMLIEQZFRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24/c1-18(2)26-17-23(12-11-19(26)3)20-13-15-22(16-14-20)25-10-6-8-21-7-4-5-9-24(21)25/h4-10,13-17H,1,11-12H2,2-3H3.
What are the key properties of 1-[4-(4-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)phenyl]naphthalene?
1-[4-(4-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)phenyl]naphthalene has a molecular weight of 336.48 g/mol, XLogP of 7.58, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)phenyl]naphthalene is sourced from PubChem (CID 143808813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).