benzylidene(tricyclohexyl)-λ5-phosphane

C25H39P — CID 57054416

IUPACbenzylidene(tricyclohexyl)-λ5-phosphane
SMILESC(c1ccccc1)=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C25H39P/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1,5-6,13-14,21,23-25H,2-4,7-12,15-20H2
InChIKeyPWTLUJRVNCRSFS-UHFFFAOYSA-N
MW370.56 g/mol
LogP7.85
Rot. Bonds4

About benzylidene(tricyclohexyl)-λ5-phosphane

benzylidene(tricyclohexyl)-λ5-phosphane (PubChem CID 57054416) has the molecular formula C25H39P and a molecular weight of 370.56 g/mol. Its IUPAC name is benzylidene(tricyclohexyl)-λ5-phosphane.

Molecular Properties

Compound Namebenzylidene(tricyclohexyl)-λ5-phosphane
PubChem CID57054416
Molecular FormulaC25H39P
Molecular Weight370.56 g/mol
Exact Mass370.28
IUPAC Namebenzylidene(tricyclohexyl)-λ5-phosphane
SMILESC(c1ccccc1)=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C25H39P/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1,5-6,13-14,21,23-25H,2-4,7-12,15-20H2
InChIKeyPWTLUJRVNCRSFS-UHFFFAOYSA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.56
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzylidene(tricyclohexyl)-λ5-phosphane?
The IUPAC name of benzylidene(tricyclohexyl)-λ5-phosphane (CID 57054416) is benzylidene(tricyclohexyl)-λ5-phosphane.
What is the SMILES notation for benzylidene(tricyclohexyl)-λ5-phosphane?
The canonical SMILES for benzylidene(tricyclohexyl)-λ5-phosphane is C(c1ccccc1)=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of benzylidene(tricyclohexyl)-λ5-phosphane?
The InChIKey is PWTLUJRVNCRSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39P/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1,5-6,13-14,21,23-25H,2-4,7-12,15-20H2.
What are the key properties of benzylidene(tricyclohexyl)-λ5-phosphane?
benzylidene(tricyclohexyl)-λ5-phosphane has a molecular weight of 370.56 g/mol, XLogP of 7.85, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzylidene(tricyclohexyl)-λ5-phosphane is sourced from PubChem (CID 57054416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).