dicyclohexyl-[[1-[2-(dicyclohexylphosphanylmethyl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]phosphane

C58H76P2 — CID 20606212

IUPACdicyclohexyl-[[1-[2-(dicyclohexylphosphanylmethyl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]phosphane
SMILESc1ccc(-c2cc3c(c(-c4c5c(cc(-c6ccccc6)c4CP(C4CCCCC4)C4CCCCC4)CCCC5)c2CP(C2CCCCC2)C2CCCCC2)CCCC3)cc1
InChIInChI=1S/C58H76P2/c1-7-23-43(24-8-1)53-39-45-27-19-21-37-51(45)57(55(53)41-59(47-29-11-3-12-30-47)48-31-13-4-14-32-48)58-52-38-22-20-28-46(52)40-54(44-25-9-2-10-26-44)56(58)42-60(49-33-15-5-16-34-49)50-35-17-6-18-36-50/h1-2,7-10,23-26,39-40,47-50H,3-6,11-22,27-38,41-42H2
InChIKeyLVAWFNWNQJMCIE-UHFFFAOYSA-N
MW835.19 g/mol
LogP17.74
Rot. Bonds11

About dicyclohexyl-[[1-[2-(dicyclohexylphosphanylmethyl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]phosphane

dicyclohexyl-[[1-[2-(dicyclohexylphosphanylmethyl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]phosphane (PubChem CID 20606212) has the molecular formula C58H76P2 and a molecular weight of 835.19 g/mol. Its IUPAC name is dicyclohexyl-[[1-[2-(dicyclohexylphosphanylmethyl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[[1-[2-(dicyclohexylphosphanylmethyl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]phosphane
PubChem CID20606212
Molecular FormulaC58H76P2
Molecular Weight835.19 g/mol
Exact Mass834.54
IUPAC Namedicyclohexyl-[[1-[2-(dicyclohexylphosphanylmethyl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]phosphane
SMILESc1ccc(-c2cc3c(c(-c4c5c(cc(-c6ccccc6)c4CP(C4CCCCC4)C4CCCCC4)CCCC5)c2CP(C2CCCCC2)C2CCCCC2)CCCC3)cc1
InChIInChI=1S/C58H76P2/c1-7-23-43(24-8-1)53-39-45-27-19-21-37-51(45)57(55(53)41-59(47-29-11-3-12-30-47)48-31-13-4-14-32-48)58-52-38-22-20-28-46(52)40-54(44-25-9-2-10-26-44)56(58)42-60(49-33-15-5-16-34-49)50-35-17-6-18-36-50/h1-2,7-10,23-26,39-40,47-50H,3-6,11-22,27-38,41-42H2
InChIKeyLVAWFNWNQJMCIE-UHFFFAOYSA-N
XLogP17.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.19
LogP ≤ 517.74
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 dicyclohexyl-[[1-[2-(dicyclohexylphosphanylmethyl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]phosphane?
The IUPAC name of dicyclohexyl-[[1-[2-(dicyclohexylphosphanylmethyl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]phosphane (CID 20606212) is dicyclohexyl-[[1-[2-(dicyclohexylphosphanylmethyl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]phosphane.
What is the SMILES notation for dicyclohexyl-[[1-[2-(dicyclohexylphosphanylmethyl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]phosphane?
The canonical SMILES for dicyclohexyl-[[1-[2-(dicyclohexylphosphanylmethyl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]phosphane is c1ccc(-c2cc3c(c(-c4c5c(cc(-c6ccccc6)c4CP(C4CCCCC4)C4CCCCC4)CCCC5)c2CP(C2CCCCC2)C2CCCCC2)CCCC3)cc1.
What is the InChIKey of dicyclohexyl-[[1-[2-(dicyclohexylphosphanylmethyl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]phosphane?
The InChIKey is LVAWFNWNQJMCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H76P2/c1-7-23-43(24-8-1)53-39-45-27-19-21-37-51(45)57(55(53)41-59(47-29-11-3-12-30-47)48-31-13-4-14-32-48)58-52-38-22-20-28-46(52)40-54(44-25-9-2-10-26-44)56(58)42-60(49-33-15-5-16-34-49)50-35-17-6-18-36-50/h1-2,7-10,23-26,39-40,47-50H,3-6,11-22,27-38,41-42H2.
What are the key properties of dicyclohexyl-[[1-[2-(dicyclohexylphosphanylmethyl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]phosphane?
dicyclohexyl-[[1-[2-(dicyclohexylphosphanylmethyl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]phosphane has a molecular weight of 835.19 g/mol, XLogP of 17.74, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[[1-[2-(dicyclohexylphosphanylmethyl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]phosphane is sourced from PubChem (CID 20606212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).