1,1'-biphenyl;tricyclo[5.2.1.02,6]deca-3,8-diene

C22H22 — CID 173347258

IUPAC1,1'-biphenyl;tricyclo[5.2.1.02,6]deca-3,8-diene
SMILESC1=CC2C3C=CC(C3)C2C1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C10H12/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-9-7-4-5-8(6-7)10(9)3-1/h1-10H;1-2,4-5,7-10H,3,6H2
InChIKeyGXUHTDPIEONNKR-UHFFFAOYSA-N
MW286.42 g/mol
LogP5.74
Rot. Bonds1

About 1,1'-biphenyl;tricyclo[5.2.1.02,6]deca-3,8-diene

1,1'-biphenyl;tricyclo[5.2.1.02,6]deca-3,8-diene (PubChem CID 173347258) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1,1'-biphenyl;tricyclo[5.2.1.02,6]deca-3,8-diene.

Molecular Properties

Compound Name1,1'-biphenyl;tricyclo[5.2.1.02,6]deca-3,8-diene
PubChem CID173347258
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name1,1'-biphenyl;tricyclo[5.2.1.02,6]deca-3,8-diene
SMILESC1=CC2C3C=CC(C3)C2C1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C10H12/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-9-7-4-5-8(6-7)10(9)3-1/h1-10H;1-2,4-5,7-10H,3,6H2
InChIKeyGXUHTDPIEONNKR-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;tricyclo[5.2.1.02,6]deca-3,8-diene?
The IUPAC name of 1,1'-biphenyl;tricyclo[5.2.1.02,6]deca-3,8-diene (CID 173347258) is 1,1'-biphenyl;tricyclo[5.2.1.02,6]deca-3,8-diene.
What is the SMILES notation for 1,1'-biphenyl;tricyclo[5.2.1.02,6]deca-3,8-diene?
The canonical SMILES for 1,1'-biphenyl;tricyclo[5.2.1.02,6]deca-3,8-diene is C1=CC2C3C=CC(C3)C2C1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;tricyclo[5.2.1.02,6]deca-3,8-diene?
The InChIKey is GXUHTDPIEONNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C10H12/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-9-7-4-5-8(6-7)10(9)3-1/h1-10H;1-2,4-5,7-10H,3,6H2.
What are the key properties of 1,1'-biphenyl;tricyclo[5.2.1.02,6]deca-3,8-diene?
1,1'-biphenyl;tricyclo[5.2.1.02,6]deca-3,8-diene has a molecular weight of 286.42 g/mol, XLogP of 5.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;tricyclo[5.2.1.02,6]deca-3,8-diene is sourced from PubChem (CID 173347258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).