2-diphenylphosphoryl-1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene

C44H32O2P2 — CID 10985169

IUPAC2-diphenylphosphoryl-1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1-c1c(P(=O)(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C44H32O2P2/c45-47(35-19-5-1-6-20-35,36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)48(46,37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32H
InChIKeySEZSRPYCOMAEDL-UHFFFAOYSA-N
MW654.69 g/mol
LogP8.94
Rot. Bonds7

About 2-diphenylphosphoryl-1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene

2-diphenylphosphoryl-1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene (PubChem CID 10985169) has the molecular formula C44H32O2P2 and a molecular weight of 654.69 g/mol. Its IUPAC name is 2-diphenylphosphoryl-1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene.

Molecular Properties

Compound Name2-diphenylphosphoryl-1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene
PubChem CID10985169
Molecular FormulaC44H32O2P2
Molecular Weight654.69 g/mol
Exact Mass654.19
IUPAC Name2-diphenylphosphoryl-1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1-c1c(P(=O)(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C44H32O2P2/c45-47(35-19-5-1-6-20-35,36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)48(46,37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32H
InChIKeySEZSRPYCOMAEDL-UHFFFAOYSA-N
XLogP8.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.69
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphoryl-1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene?
The IUPAC name of 2-diphenylphosphoryl-1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene (CID 10985169) is 2-diphenylphosphoryl-1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene.
What is the SMILES notation for 2-diphenylphosphoryl-1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene?
The canonical SMILES for 2-diphenylphosphoryl-1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene is O=P(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1-c1c(P(=O)(c2ccccc2)c2ccccc2)ccc2ccccc12.
What is the InChIKey of 2-diphenylphosphoryl-1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene?
The InChIKey is SEZSRPYCOMAEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32O2P2/c45-47(35-19-5-1-6-20-35,36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)48(46,37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32H.
What are the key properties of 2-diphenylphosphoryl-1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene?
2-diphenylphosphoryl-1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene has a molecular weight of 654.69 g/mol, XLogP of 8.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene is sourced from PubChem (CID 10985169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).