[1-[2-(diphenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-diphenylphosphane

C46H36P2 — CID 10952407

IUPAC[1-[2-(diphenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-diphenylphosphane
SMILESc1ccc(P(Cc2ccc3ccccc3c2-c2c(CP(c3ccccc3)c3ccccc3)ccc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C46H36P2/c1-5-19-39(20-6-1)47(40-21-7-2-8-22-40)33-37-31-29-35-17-13-15-27-43(35)45(37)46-38(32-30-36-18-14-16-28-44(36)46)34-48(41-23-9-3-10-24-41)42-25-11-4-12-26-42/h1-32H,33-34H2
InChIKeyCMIHWILCIPLTFO-UHFFFAOYSA-N
MW650.74 g/mol
LogP10.93
Rot. Bonds9

About [1-[2-(diphenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-diphenylphosphane

[1-[2-(diphenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-diphenylphosphane (PubChem CID 10952407) has the molecular formula C46H36P2 and a molecular weight of 650.74 g/mol. Its IUPAC name is [1-[2-(diphenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-diphenylphosphane.

Molecular Properties

Compound Name[1-[2-(diphenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-diphenylphosphane
PubChem CID10952407
Molecular FormulaC46H36P2
Molecular Weight650.74 g/mol
Exact Mass650.23
IUPAC Name[1-[2-(diphenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-diphenylphosphane
SMILESc1ccc(P(Cc2ccc3ccccc3c2-c2c(CP(c3ccccc3)c3ccccc3)ccc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C46H36P2/c1-5-19-39(20-6-1)47(40-21-7-2-8-22-40)33-37-31-29-35-17-13-15-27-43(35)45(37)46-38(32-30-36-18-14-16-28-44(36)46)34-48(41-23-9-3-10-24-41)42-25-11-4-12-26-42/h1-32H,33-34H2
InChIKeyCMIHWILCIPLTFO-UHFFFAOYSA-N
XLogP10.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.74
LogP ≤ 510.93
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-(diphenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-diphenylphosphane?
The IUPAC name of [1-[2-(diphenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-diphenylphosphane (CID 10952407) is [1-[2-(diphenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-diphenylphosphane.
What is the SMILES notation for [1-[2-(diphenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-diphenylphosphane?
The canonical SMILES for [1-[2-(diphenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-diphenylphosphane is c1ccc(P(Cc2ccc3ccccc3c2-c2c(CP(c3ccccc3)c3ccccc3)ccc3ccccc23)c2ccccc2)cc1.
What is the InChIKey of [1-[2-(diphenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-diphenylphosphane?
The InChIKey is CMIHWILCIPLTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36P2/c1-5-19-39(20-6-1)47(40-21-7-2-8-22-40)33-37-31-29-35-17-13-15-27-43(35)45(37)46-38(32-30-36-18-14-16-28-44(36)46)34-48(41-23-9-3-10-24-41)42-25-11-4-12-26-42/h1-32H,33-34H2.
What are the key properties of [1-[2-(diphenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-diphenylphosphane?
[1-[2-(diphenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-diphenylphosphane has a molecular weight of 650.74 g/mol, XLogP of 10.93, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(diphenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-diphenylphosphane is sourced from PubChem (CID 10952407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).