benzylidene(tricyclohexyl)-λ5-phosphane;tricyclohexylphosphane;dihydrochloride

C43H74Cl2P2 — CID 173162409

IUPACbenzylidene(tricyclohexyl)-λ5-phosphane;tricyclohexylphosphane;dihydrochloride
SMILESC(c1ccccc1)=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.Cl.Cl
InChIInChI=1S/C25H39P.C18H33P.2ClH/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;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1,5-6,13-14,21,23-25H,2-4,7-12,15-20H2;16-18H,1-15H2;2*1H
InChIKeyMIANDSLOKHUDKG-UHFFFAOYSA-N
MW723.92 g/mol
LogP15.16
Rot. Bonds7

About benzylidene(tricyclohexyl)-λ5-phosphane;tricyclohexylphosphane;dihydrochloride

benzylidene(tricyclohexyl)-λ5-phosphane;tricyclohexylphosphane;dihydrochloride (PubChem CID 173162409) has the molecular formula C43H74Cl2P2 and a molecular weight of 723.92 g/mol. Its IUPAC name is benzylidene(tricyclohexyl)-λ5-phosphane;tricyclohexylphosphane;dihydrochloride.

Molecular Properties

Compound Namebenzylidene(tricyclohexyl)-λ5-phosphane;tricyclohexylphosphane;dihydrochloride
PubChem CID173162409
Molecular FormulaC43H74Cl2P2
Molecular Weight723.92 g/mol
Exact Mass722.46
IUPAC Namebenzylidene(tricyclohexyl)-λ5-phosphane;tricyclohexylphosphane;dihydrochloride
SMILESC(c1ccccc1)=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.Cl.Cl
InChIInChI=1S/C25H39P.C18H33P.2ClH/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;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1,5-6,13-14,21,23-25H,2-4,7-12,15-20H2;16-18H,1-15H2;2*1H
InChIKeyMIANDSLOKHUDKG-UHFFFAOYSA-N
XLogP15.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.92
LogP ≤ 515.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzylidene(tricyclohexyl)-λ5-phosphane
CID 57054416
benzylidene-dicyclohexyl-(4,4-dichlorocyclohexyl)-λ5-phosphane;triiodoruthenium
CID 175844699
benzylidene(chloro)ruthenium;tricyclohexylphosphane
CID 173136823
cyclononyl(diphenyl)phosphane
CID 70908257
dichlororuthenium;methanidylbenzene;bis(tricyclohexylphosphane)
CID 11083370
tri(cyclododecyl)phosphane
CID 19065577
tri(cyclooctyl)phosphane
CID 12970661
dichloronickel;toluene;tricyclohexylphosphane
CID 174762533
silane;tricyclohexylphosphane
CID 158384701
CID 11297590
CID 11297590
gold(1+);tricyclohexylphosphane
CID 161082953
phosphane;tricyclohexylphosphane
CID 87084185

Frequently Asked Questions

What is the IUPAC name of benzylidene(tricyclohexyl)-λ5-phosphane;tricyclohexylphosphane;dihydrochloride?
The IUPAC name of benzylidene(tricyclohexyl)-λ5-phosphane;tricyclohexylphosphane;dihydrochloride (CID 173162409) is benzylidene(tricyclohexyl)-λ5-phosphane;tricyclohexylphosphane;dihydrochloride.
What is the SMILES notation for benzylidene(tricyclohexyl)-λ5-phosphane;tricyclohexylphosphane;dihydrochloride?
The canonical SMILES for benzylidene(tricyclohexyl)-λ5-phosphane;tricyclohexylphosphane;dihydrochloride is C(c1ccccc1)=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.Cl.Cl.
What is the InChIKey of benzylidene(tricyclohexyl)-λ5-phosphane;tricyclohexylphosphane;dihydrochloride?
The InChIKey is MIANDSLOKHUDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39P.C18H33P.2ClH/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;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1,5-6,13-14,21,23-25H,2-4,7-12,15-20H2;16-18H,1-15H2;2*1H.
What are the key properties of benzylidene(tricyclohexyl)-λ5-phosphane;tricyclohexylphosphane;dihydrochloride?
benzylidene(tricyclohexyl)-λ5-phosphane;tricyclohexylphosphane;dihydrochloride has a molecular weight of 723.92 g/mol, XLogP of 15.16, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzylidene(tricyclohexyl)-λ5-phosphane;tricyclohexylphosphane;dihydrochloride is sourced from PubChem (CID 173162409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).