4-[4-(phosphinin-4-yl)cyclohepten-1-yl]phosphinine

C17H18P2 — CID 91119074

IUPAC4-[4-(phosphinin-4-yl)cyclohepten-1-yl]phosphinine
SMILESC1=C(c2ccpcc2)CCCC(c2ccpcc2)C1
InChIInChI=1S/C17H18P2/c1-2-14(16-6-10-18-11-7-16)4-5-15(3-1)17-8-12-19-13-9-17/h4,6-13,15H,1-3,5H2
InChIKeyMQZDEAMQESNDCA-UHFFFAOYSA-N
MW284.28 g/mol
LogP6.59
Rot. Bonds2

About 4-[4-(phosphinin-4-yl)cyclohepten-1-yl]phosphinine

4-[4-(phosphinin-4-yl)cyclohepten-1-yl]phosphinine (PubChem CID 91119074) has the molecular formula C17H18P2 and a molecular weight of 284.28 g/mol. Its IUPAC name is 4-[4-(phosphinin-4-yl)cyclohepten-1-yl]phosphinine.

Molecular Properties

Compound Name4-[4-(phosphinin-4-yl)cyclohepten-1-yl]phosphinine
PubChem CID91119074
Molecular FormulaC17H18P2
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Name4-[4-(phosphinin-4-yl)cyclohepten-1-yl]phosphinine
SMILESC1=C(c2ccpcc2)CCCC(c2ccpcc2)C1
InChIInChI=1S/C17H18P2/c1-2-14(16-6-10-18-11-7-16)4-5-15(3-1)17-8-12-19-13-9-17/h4,6-13,15H,1-3,5H2
InChIKeyMQZDEAMQESNDCA-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.28
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(phosphinin-4-yl)cyclohepten-1-yl]phosphinine?
The IUPAC name of 4-[4-(phosphinin-4-yl)cyclohepten-1-yl]phosphinine (CID 91119074) is 4-[4-(phosphinin-4-yl)cyclohepten-1-yl]phosphinine.
What is the SMILES notation for 4-[4-(phosphinin-4-yl)cyclohepten-1-yl]phosphinine?
The canonical SMILES for 4-[4-(phosphinin-4-yl)cyclohepten-1-yl]phosphinine is C1=C(c2ccpcc2)CCCC(c2ccpcc2)C1.
What is the InChIKey of 4-[4-(phosphinin-4-yl)cyclohepten-1-yl]phosphinine?
The InChIKey is MQZDEAMQESNDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18P2/c1-2-14(16-6-10-18-11-7-16)4-5-15(3-1)17-8-12-19-13-9-17/h4,6-13,15H,1-3,5H2.
What are the key properties of 4-[4-(phosphinin-4-yl)cyclohepten-1-yl]phosphinine?
4-[4-(phosphinin-4-yl)cyclohepten-1-yl]phosphinine has a molecular weight of 284.28 g/mol, XLogP of 6.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(phosphinin-4-yl)cyclohepten-1-yl]phosphinine is sourced from PubChem (CID 91119074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).