(2Z)-2-phenyltricyclo[8.2.2.24,7]hexadeca-1(13),2,4,6,10(14),11,15-heptaene

C22H18 — CID 11033332

IUPAC(2Z)-2-phenyltricyclo[8.2.2.24,7]hexadeca-1(13),2,4,6,10(14),11,15-heptaene
SMILESC1=C(/c2ccccc2)c2ccc(cc2)CCc2ccc/1cc2
InChIInChI=1S/C22H18/c1-2-4-20(5-3-1)22-16-19-10-8-17(9-11-19)6-7-18-12-14-21(22)15-13-18/h1-5,8-16H,6-7H2/b22-16-
InChIKeyGOJYOFQXZLABJL-JWGURIENSA-N
MW282.39 g/mol
LogP5.37
Rot. Bonds1

About (2Z)-2-phenyltricyclo[8.2.2.24,7]hexadeca-1(13),2,4,6,10(14),11,15-heptaene

(2Z)-2-phenyltricyclo[8.2.2.24,7]hexadeca-1(13),2,4,6,10(14),11,15-heptaene (PubChem CID 11033332) has the molecular formula C22H18 and a molecular weight of 282.39 g/mol. Its IUPAC name is (2Z)-2-phenyltricyclo[8.2.2.24,7]hexadeca-1(13),2,4,6,10(14),11,15-heptaene.

Molecular Properties

Compound Name(2Z)-2-phenyltricyclo[8.2.2.24,7]hexadeca-1(13),2,4,6,10(14),11,15-heptaene
PubChem CID11033332
Molecular FormulaC22H18
Molecular Weight282.39 g/mol
Exact Mass282.14
IUPAC Name(2Z)-2-phenyltricyclo[8.2.2.24,7]hexadeca-1(13),2,4,6,10(14),11,15-heptaene
SMILESC1=C(/c2ccccc2)c2ccc(cc2)CCc2ccc/1cc2
InChIInChI=1S/C22H18/c1-2-4-20(5-3-1)22-16-19-10-8-17(9-11-19)6-7-18-12-14-21(22)15-13-18/h1-5,8-16H,6-7H2/b22-16-
InChIKeyGOJYOFQXZLABJL-JWGURIENSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.39
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-phenyltricyclo[8.2.2.24,7]hexadeca-1(13),2,4,6,10(14),11,15-heptaene?
The IUPAC name of (2Z)-2-phenyltricyclo[8.2.2.24,7]hexadeca-1(13),2,4,6,10(14),11,15-heptaene (CID 11033332) is (2Z)-2-phenyltricyclo[8.2.2.24,7]hexadeca-1(13),2,4,6,10(14),11,15-heptaene.
What is the SMILES notation for (2Z)-2-phenyltricyclo[8.2.2.24,7]hexadeca-1(13),2,4,6,10(14),11,15-heptaene?
The canonical SMILES for (2Z)-2-phenyltricyclo[8.2.2.24,7]hexadeca-1(13),2,4,6,10(14),11,15-heptaene is C1=C(/c2ccccc2)c2ccc(cc2)CCc2ccc/1cc2.
What is the InChIKey of (2Z)-2-phenyltricyclo[8.2.2.24,7]hexadeca-1(13),2,4,6,10(14),11,15-heptaene?
The InChIKey is GOJYOFQXZLABJL-JWGURIENSA-N. The full InChI is InChI=1S/C22H18/c1-2-4-20(5-3-1)22-16-19-10-8-17(9-11-19)6-7-18-12-14-21(22)15-13-18/h1-5,8-16H,6-7H2/b22-16-.
What are the key properties of (2Z)-2-phenyltricyclo[8.2.2.24,7]hexadeca-1(13),2,4,6,10(14),11,15-heptaene?
(2Z)-2-phenyltricyclo[8.2.2.24,7]hexadeca-1(13),2,4,6,10(14),11,15-heptaene has a molecular weight of 282.39 g/mol, XLogP of 5.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-phenyltricyclo[8.2.2.24,7]hexadeca-1(13),2,4,6,10(14),11,15-heptaene is sourced from PubChem (CID 11033332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).