6-[[3-cyclohexyl-5-(1H-inden-4-yl)phenyl]methyl]-3-methylidene-2,4-dihydro-1H-naphthalene

C33H34 — CID 123146487

IUPAC6-[[3-cyclohexyl-5-(1H-inden-4-yl)phenyl]methyl]-3-methylidene-2,4-dihydro-1H-naphthalene
SMILESC=C1CCc2ccc(Cc3cc(-c4cccc5c4C=CC5)cc(C4CCCCC4)c3)cc2C1
InChIInChI=1S/C33H34/c1-23-13-15-27-16-14-24(19-29(27)17-23)18-25-20-30(26-7-3-2-4-8-26)22-31(21-25)33-12-6-10-28-9-5-11-32(28)33/h5-6,10-12,14,16,19-22,26H,1-4,7-9,13,15,17-18H2
InChIKeyGYTDILDOWMLVIQ-UHFFFAOYSA-N
MW430.64 g/mol
LogP8.61
Rot. Bonds4

About 6-[[3-cyclohexyl-5-(1H-inden-4-yl)phenyl]methyl]-3-methylidene-2,4-dihydro-1H-naphthalene

6-[[3-cyclohexyl-5-(1H-inden-4-yl)phenyl]methyl]-3-methylidene-2,4-dihydro-1H-naphthalene (PubChem CID 123146487) has the molecular formula C33H34 and a molecular weight of 430.64 g/mol. Its IUPAC name is 6-[[3-cyclohexyl-5-(1H-inden-4-yl)phenyl]methyl]-3-methylidene-2,4-dihydro-1H-naphthalene.

Molecular Properties

Compound Name6-[[3-cyclohexyl-5-(1H-inden-4-yl)phenyl]methyl]-3-methylidene-2,4-dihydro-1H-naphthalene
PubChem CID123146487
Molecular FormulaC33H34
Molecular Weight430.64 g/mol
Exact Mass430.27
IUPAC Name6-[[3-cyclohexyl-5-(1H-inden-4-yl)phenyl]methyl]-3-methylidene-2,4-dihydro-1H-naphthalene
SMILESC=C1CCc2ccc(Cc3cc(-c4cccc5c4C=CC5)cc(C4CCCCC4)c3)cc2C1
InChIInChI=1S/C33H34/c1-23-13-15-27-16-14-24(19-29(27)17-23)18-25-20-30(26-7-3-2-4-8-26)22-31(21-25)33-12-6-10-28-9-5-11-32(28)33/h5-6,10-12,14,16,19-22,26H,1-4,7-9,13,15,17-18H2
InChIKeyGYTDILDOWMLVIQ-UHFFFAOYSA-N
XLogP8.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.64
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[3-cyclohexyl-5-(4-methylidenecycloheptyl)phenyl]-1H-indene
CID 123144450
4-(3,5-diphenylphenyl)-1H-indene
CID 22471910
4,5-dicyclohexyl-1H-indene
CID 173356994
7-[[4-(4-cyclobutylcyclohexyl)phenyl]methyl]-4-(3-ethylphenyl)-3aH-indene;7-[[4-[3-(3-cyclopenta-2,4-dien-1-ylphenyl)propyl]phenyl]methyl]-4-(2,3-dihydro-1H-inden-5-yl)-3aH-indene;4-(1H-inden-4-yl)-7-[[4-(4-propan-2-ylcyclohexyl)phenyl]methyl]-3aH-indene
CID 159448369
2-cyclohexyl-4-(4-cyclohexylphenyl)-1H-indene
CID 87675897
1-cyclohexyl-3-[(3-cyclohexyl-5-methylphenyl)methyl]-5-methylbenzene
CID 19990202
4-(4-cyclohexylphenyl)-2-(cyclopentylmethyl)-1H-indene
CID 87472369
1-(1H-inden-4-yl)phenanthrene
CID 174767393
2,3,3a,4,5,6,7,7a-octahydro-1H-indene;anthracene;benzene;cycloheptane;cyclohexane;cyclopentane;9H-fluorene;1H-indene;naphthalene;1,2,3,4-tetrahydronaphthalene
CID 158210787
6-methyl-3-methylidene-2,4-dihydro-1H-naphthalene
CID 144794915
3,6-dicyclohexyl-9H-fluorene
CID 87146028
5-benzyl-2,3-dihydro-1H-indene
CID 142307005

Frequently Asked Questions

What is the IUPAC name of 6-[[3-cyclohexyl-5-(1H-inden-4-yl)phenyl]methyl]-3-methylidene-2,4-dihydro-1H-naphthalene?
The IUPAC name of 6-[[3-cyclohexyl-5-(1H-inden-4-yl)phenyl]methyl]-3-methylidene-2,4-dihydro-1H-naphthalene (CID 123146487) is 6-[[3-cyclohexyl-5-(1H-inden-4-yl)phenyl]methyl]-3-methylidene-2,4-dihydro-1H-naphthalene.
What is the SMILES notation for 6-[[3-cyclohexyl-5-(1H-inden-4-yl)phenyl]methyl]-3-methylidene-2,4-dihydro-1H-naphthalene?
The canonical SMILES for 6-[[3-cyclohexyl-5-(1H-inden-4-yl)phenyl]methyl]-3-methylidene-2,4-dihydro-1H-naphthalene is C=C1CCc2ccc(Cc3cc(-c4cccc5c4C=CC5)cc(C4CCCCC4)c3)cc2C1.
What is the InChIKey of 6-[[3-cyclohexyl-5-(1H-inden-4-yl)phenyl]methyl]-3-methylidene-2,4-dihydro-1H-naphthalene?
The InChIKey is GYTDILDOWMLVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34/c1-23-13-15-27-16-14-24(19-29(27)17-23)18-25-20-30(26-7-3-2-4-8-26)22-31(21-25)33-12-6-10-28-9-5-11-32(28)33/h5-6,10-12,14,16,19-22,26H,1-4,7-9,13,15,17-18H2.
What are the key properties of 6-[[3-cyclohexyl-5-(1H-inden-4-yl)phenyl]methyl]-3-methylidene-2,4-dihydro-1H-naphthalene?
6-[[3-cyclohexyl-5-(1H-inden-4-yl)phenyl]methyl]-3-methylidene-2,4-dihydro-1H-naphthalene has a molecular weight of 430.64 g/mol, XLogP of 8.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-cyclohexyl-5-(1H-inden-4-yl)phenyl]methyl]-3-methylidene-2,4-dihydro-1H-naphthalene is sourced from PubChem (CID 123146487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).