[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane

C39H30P2 — CID 11981183

IUPAC[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane
SMILESCP(c1ccccc1)c1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C39H30P2/c1-40(31-17-5-2-6-18-31)36-27-25-29-15-11-13-23-34(29)38(36)39-35-24-14-12-16-30(35)26-28-37(39)41(32-19-7-3-8-20-32)33-21-9-4-10-22-33/h2-28H,1H3
InChIKeyWGDKOTNZGRMORB-UHFFFAOYSA-N
MW560.62 g/mol
LogP8.48
Rot. Bonds6

About [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane

[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane (PubChem CID 11981183) has the molecular formula C39H30P2 and a molecular weight of 560.62 g/mol. Its IUPAC name is [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane.

Molecular Properties

Compound Name[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane
PubChem CID11981183
Molecular FormulaC39H30P2
Molecular Weight560.62 g/mol
Exact Mass560.18
IUPAC Name[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane
SMILESCP(c1ccccc1)c1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C39H30P2/c1-40(31-17-5-2-6-18-31)36-27-25-29-15-11-13-23-34(29)38(36)39-35-24-14-12-16-30(35)26-28-37(39)41(32-19-7-3-8-20-32)33-21-9-4-10-22-33/h2-28H,1H3
InChIKeyWGDKOTNZGRMORB-UHFFFAOYSA-N
XLogP8.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.62
LogP ≤ 58.48
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 [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane?
The IUPAC name of [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane (CID 11981183) is [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane.
What is the SMILES notation for [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane?
The canonical SMILES for [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane is CP(c1ccccc1)c1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12.
What is the InChIKey of [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane?
The InChIKey is WGDKOTNZGRMORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30P2/c1-40(31-17-5-2-6-18-31)36-27-25-29-15-11-13-23-34(29)38(36)39-35-24-14-12-16-30(35)26-28-37(39)41(32-19-7-3-8-20-32)33-21-9-4-10-22-33/h2-28H,1H3.
What are the key properties of [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane?
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane has a molecular weight of 560.62 g/mol, XLogP of 8.48, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane is sourced from PubChem (CID 11981183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).