ethane;9-(4-ethylphenyl)tetracyclo[9.5.0.02,7.07,9]hexadeca-1,3,5,10,12,15-hexaene

C26H28 — CID 145265212

IUPACethane;9-(4-ethylphenyl)tetracyclo[9.5.0.02,7.07,9]hexadeca-1,3,5,10,12,15-hexaene
SMILESCC.CCc1ccc(C23C=C4C=CCC=CC4=C4C=CC=CC42C3)cc1
InChIInChI=1S/C24H22.C2H6/c1-2-18-11-13-20(14-12-18)24-16-19-8-4-3-5-9-21(19)22-10-6-7-15-23(22,24)17-24;1-2/h4-16H,2-3,17H2,1H3;1-2H3
InChIKeyJLZVUIZMOTZPLL-UHFFFAOYSA-N
MW340.51 g/mol
LogP6.78
Rot. Bonds2

About ethane;9-(4-ethylphenyl)tetracyclo[9.5.0.02,7.07,9]hexadeca-1,3,5,10,12,15-hexaene

ethane;9-(4-ethylphenyl)tetracyclo[9.5.0.02,7.07,9]hexadeca-1,3,5,10,12,15-hexaene (PubChem CID 145265212) has the molecular formula C26H28 and a molecular weight of 340.51 g/mol. Its IUPAC name is ethane;9-(4-ethylphenyl)tetracyclo[9.5.0.02,7.07,9]hexadeca-1,3,5,10,12,15-hexaene.

Molecular Properties

Compound Nameethane;9-(4-ethylphenyl)tetracyclo[9.5.0.02,7.07,9]hexadeca-1,3,5,10,12,15-hexaene
PubChem CID145265212
Molecular FormulaC26H28
Molecular Weight340.51 g/mol
Exact Mass340.22
IUPAC Nameethane;9-(4-ethylphenyl)tetracyclo[9.5.0.02,7.07,9]hexadeca-1,3,5,10,12,15-hexaene
SMILESCC.CCc1ccc(C23C=C4C=CCC=CC4=C4C=CC=CC42C3)cc1
InChIInChI=1S/C24H22.C2H6/c1-2-18-11-13-20(14-12-18)24-16-19-8-4-3-5-9-21(19)22-10-6-7-15-23(22,24)17-24;1-2/h4-16H,2-3,17H2,1H3;1-2H3
InChIKeyJLZVUIZMOTZPLL-UHFFFAOYSA-N
XLogP6.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;9-(4-ethylphenyl)tetracyclo[9.5.0.02,7.07,9]hexadeca-1,3,5,10,12,15-hexaene?
The IUPAC name of ethane;9-(4-ethylphenyl)tetracyclo[9.5.0.02,7.07,9]hexadeca-1,3,5,10,12,15-hexaene (CID 145265212) is ethane;9-(4-ethylphenyl)tetracyclo[9.5.0.02,7.07,9]hexadeca-1,3,5,10,12,15-hexaene.
What is the SMILES notation for ethane;9-(4-ethylphenyl)tetracyclo[9.5.0.02,7.07,9]hexadeca-1,3,5,10,12,15-hexaene?
The canonical SMILES for ethane;9-(4-ethylphenyl)tetracyclo[9.5.0.02,7.07,9]hexadeca-1,3,5,10,12,15-hexaene is CC.CCc1ccc(C23C=C4C=CCC=CC4=C4C=CC=CC42C3)cc1.
What is the InChIKey of ethane;9-(4-ethylphenyl)tetracyclo[9.5.0.02,7.07,9]hexadeca-1,3,5,10,12,15-hexaene?
The InChIKey is JLZVUIZMOTZPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22.C2H6/c1-2-18-11-13-20(14-12-18)24-16-19-8-4-3-5-9-21(19)22-10-6-7-15-23(22,24)17-24;1-2/h4-16H,2-3,17H2,1H3;1-2H3.
What are the key properties of ethane;9-(4-ethylphenyl)tetracyclo[9.5.0.02,7.07,9]hexadeca-1,3,5,10,12,15-hexaene?
ethane;9-(4-ethylphenyl)tetracyclo[9.5.0.02,7.07,9]hexadeca-1,3,5,10,12,15-hexaene has a molecular weight of 340.51 g/mol, XLogP of 6.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-(4-ethylphenyl)tetracyclo[9.5.0.02,7.07,9]hexadeca-1,3,5,10,12,15-hexaene is sourced from PubChem (CID 145265212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).