bis(dicyclohexyl(phenyl)phosphane);dihydrobromide

C36H56Br2P2 — CID 173326608

IUPACbis(dicyclohexyl(phenyl)phosphane);dihydrobromide
SMILESBr.Br.c1ccc(P(C2CCCCC2)C2CCCCC2)cc1.c1ccc(P(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/2C18H27P.2BrH/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h2*1,4-5,10-11,17-18H,2-3,6-9,12-15H2;2*1H
InChIKeyJJPZGSYPZMQTBK-UHFFFAOYSA-N
MW710.60 g/mol
LogP12.07
Rot. Bonds6

About bis(dicyclohexyl(phenyl)phosphane);dihydrobromide

bis(dicyclohexyl(phenyl)phosphane);dihydrobromide (PubChem CID 173326608) has the molecular formula C36H56Br2P2 and a molecular weight of 710.60 g/mol. Its IUPAC name is bis(dicyclohexyl(phenyl)phosphane);dihydrobromide.

Molecular Properties

Compound Namebis(dicyclohexyl(phenyl)phosphane);dihydrobromide
PubChem CID173326608
Molecular FormulaC36H56Br2P2
Molecular Weight710.60 g/mol
Exact Mass708.22
IUPAC Namebis(dicyclohexyl(phenyl)phosphane);dihydrobromide
SMILESBr.Br.c1ccc(P(C2CCCCC2)C2CCCCC2)cc1.c1ccc(P(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/2C18H27P.2BrH/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h2*1,4-5,10-11,17-18H,2-3,6-9,12-15H2;2*1H
InChIKeyJJPZGSYPZMQTBK-UHFFFAOYSA-N
XLogP12.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.60
LogP ≤ 512.07
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

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Frequently Asked Questions

What is the IUPAC name of bis(dicyclohexyl(phenyl)phosphane);dihydrobromide?
The IUPAC name of bis(dicyclohexyl(phenyl)phosphane);dihydrobromide (CID 173326608) is bis(dicyclohexyl(phenyl)phosphane);dihydrobromide.
What is the SMILES notation for bis(dicyclohexyl(phenyl)phosphane);dihydrobromide?
The canonical SMILES for bis(dicyclohexyl(phenyl)phosphane);dihydrobromide is Br.Br.c1ccc(P(C2CCCCC2)C2CCCCC2)cc1.c1ccc(P(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of bis(dicyclohexyl(phenyl)phosphane);dihydrobromide?
The InChIKey is JJPZGSYPZMQTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H27P.2BrH/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h2*1,4-5,10-11,17-18H,2-3,6-9,12-15H2;2*1H.
What are the key properties of bis(dicyclohexyl(phenyl)phosphane);dihydrobromide?
bis(dicyclohexyl(phenyl)phosphane);dihydrobromide has a molecular weight of 710.60 g/mol, XLogP of 12.07, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dicyclohexyl(phenyl)phosphane);dihydrobromide is sourced from PubChem (CID 173326608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).