1,4-diphenyl-7-phosphabicyclo[2.2.1]hept-2-ene

C18H17P — CID 58051202

IUPAC1,4-diphenyl-7-phosphabicyclo[2.2.1]hept-2-ene
SMILESC1=CC2(c3ccccc3)CCC1(c1ccccc1)P2
InChIInChI=1S/C18H17P/c1-3-7-15(8-4-1)17-11-13-18(19-17,14-12-17)16-9-5-2-6-10-16/h1-11,13,19H,12,14H2
InChIKeyUPTRLYMIWJZZFZ-UHFFFAOYSA-N
MW264.31 g/mol
LogP4.82
Rot. Bonds2

About 1,4-diphenyl-7-phosphabicyclo[2.2.1]hept-2-ene

1,4-diphenyl-7-phosphabicyclo[2.2.1]hept-2-ene (PubChem CID 58051202) has the molecular formula C18H17P and a molecular weight of 264.31 g/mol. Its IUPAC name is 1,4-diphenyl-7-phosphabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name1,4-diphenyl-7-phosphabicyclo[2.2.1]hept-2-ene
PubChem CID58051202
Molecular FormulaC18H17P
Molecular Weight264.31 g/mol
Exact Mass264.11
IUPAC Name1,4-diphenyl-7-phosphabicyclo[2.2.1]hept-2-ene
SMILESC1=CC2(c3ccccc3)CCC1(c1ccccc1)P2
InChIInChI=1S/C18H17P/c1-3-7-15(8-4-1)17-11-13-18(19-17,14-12-17)16-9-5-2-6-10-16/h1-11,13,19H,12,14H2
InChIKeyUPTRLYMIWJZZFZ-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-diphenyl-7-phosphabicyclo[2.2.1]hept-2-ene?
The IUPAC name of 1,4-diphenyl-7-phosphabicyclo[2.2.1]hept-2-ene (CID 58051202) is 1,4-diphenyl-7-phosphabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 1,4-diphenyl-7-phosphabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 1,4-diphenyl-7-phosphabicyclo[2.2.1]hept-2-ene is C1=CC2(c3ccccc3)CCC1(c1ccccc1)P2.
What is the InChIKey of 1,4-diphenyl-7-phosphabicyclo[2.2.1]hept-2-ene?
The InChIKey is UPTRLYMIWJZZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17P/c1-3-7-15(8-4-1)17-11-13-18(19-17,14-12-17)16-9-5-2-6-10-16/h1-11,13,19H,12,14H2.
What are the key properties of 1,4-diphenyl-7-phosphabicyclo[2.2.1]hept-2-ene?
1,4-diphenyl-7-phosphabicyclo[2.2.1]hept-2-ene has a molecular weight of 264.31 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenyl-7-phosphabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 58051202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).