methyl-[1-(2-methylphosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane

C22H20P2 — CID 20805112

IUPACmethyl-[1-(2-methylphosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane
SMILESCPc1ccc2ccccc2c1-c1c(PC)ccc2ccccc12
InChIInChI=1S/C22H20P2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)24-2/h3-14,23-24H,1-2H3
InChIKeyKIBLIPODXXHNEY-UHFFFAOYSA-N
MW346.35 g/mol
LogP5.53
Rot. Bonds3

About methyl-[1-(2-methylphosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane

methyl-[1-(2-methylphosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane (PubChem CID 20805112) has the molecular formula C22H20P2 and a molecular weight of 346.35 g/mol. Its IUPAC name is methyl-[1-(2-methylphosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane.

Molecular Properties

Compound Namemethyl-[1-(2-methylphosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane
PubChem CID20805112
Molecular FormulaC22H20P2
Molecular Weight346.35 g/mol
Exact Mass346.10
IUPAC Namemethyl-[1-(2-methylphosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane
SMILESCPc1ccc2ccccc2c1-c1c(PC)ccc2ccccc12
InChIInChI=1S/C22H20P2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)24-2/h3-14,23-24H,1-2H3
InChIKeyKIBLIPODXXHNEY-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.35
LogP ≤ 55.53
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 methyl-[1-(2-methylphosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane?
The IUPAC name of methyl-[1-(2-methylphosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane (CID 20805112) is methyl-[1-(2-methylphosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane.
What is the SMILES notation for methyl-[1-(2-methylphosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane?
The canonical SMILES for methyl-[1-(2-methylphosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane is CPc1ccc2ccccc2c1-c1c(PC)ccc2ccccc12.
What is the InChIKey of methyl-[1-(2-methylphosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane?
The InChIKey is KIBLIPODXXHNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20P2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)24-2/h3-14,23-24H,1-2H3.
What are the key properties of methyl-[1-(2-methylphosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane?
methyl-[1-(2-methylphosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane has a molecular weight of 346.35 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[1-(2-methylphosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane is sourced from PubChem (CID 20805112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).