2-diphenylphosphoryloxy-1-(2-diphenylphosphoryloxynaphthalen-1-yl)naphthalene

C44H32O4P2 — CID 123663527

IUPAC2-diphenylphosphoryloxy-1-(2-diphenylphosphoryloxynaphthalen-1-yl)naphthalene
SMILESO=P(Oc1ccc2ccccc2c1-c1c(OP(=O)(c2ccccc2)c2ccccc2)ccc2ccccc12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H32O4P2/c45-49(35-19-5-1-6-20-35,36-21-7-2-8-22-36)47-41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)48-50(46,37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32H
InChIKeyNIHCKBFZQZGGHA-UHFFFAOYSA-N
MW686.68 g/mol
LogP10.28
Rot. Bonds9

About 2-diphenylphosphoryloxy-1-(2-diphenylphosphoryloxynaphthalen-1-yl)naphthalene

2-diphenylphosphoryloxy-1-(2-diphenylphosphoryloxynaphthalen-1-yl)naphthalene (PubChem CID 123663527) has the molecular formula C44H32O4P2 and a molecular weight of 686.68 g/mol. Its IUPAC name is 2-diphenylphosphoryloxy-1-(2-diphenylphosphoryloxynaphthalen-1-yl)naphthalene.

Molecular Properties

Compound Name2-diphenylphosphoryloxy-1-(2-diphenylphosphoryloxynaphthalen-1-yl)naphthalene
PubChem CID123663527
Molecular FormulaC44H32O4P2
Molecular Weight686.68 g/mol
Exact Mass686.18
IUPAC Name2-diphenylphosphoryloxy-1-(2-diphenylphosphoryloxynaphthalen-1-yl)naphthalene
SMILESO=P(Oc1ccc2ccccc2c1-c1c(OP(=O)(c2ccccc2)c2ccccc2)ccc2ccccc12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H32O4P2/c45-49(35-19-5-1-6-20-35,36-21-7-2-8-22-36)47-41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)48-50(46,37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32H
InChIKeyNIHCKBFZQZGGHA-UHFFFAOYSA-N
XLogP10.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.68
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-diphenylphosphoryloxy-1-(2-diphenylphosphoryloxynaphthalen-1-yl)naphthalene?
The IUPAC name of 2-diphenylphosphoryloxy-1-(2-diphenylphosphoryloxynaphthalen-1-yl)naphthalene (CID 123663527) is 2-diphenylphosphoryloxy-1-(2-diphenylphosphoryloxynaphthalen-1-yl)naphthalene.
What is the SMILES notation for 2-diphenylphosphoryloxy-1-(2-diphenylphosphoryloxynaphthalen-1-yl)naphthalene?
The canonical SMILES for 2-diphenylphosphoryloxy-1-(2-diphenylphosphoryloxynaphthalen-1-yl)naphthalene is O=P(Oc1ccc2ccccc2c1-c1c(OP(=O)(c2ccccc2)c2ccccc2)ccc2ccccc12)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphoryloxy-1-(2-diphenylphosphoryloxynaphthalen-1-yl)naphthalene?
The InChIKey is NIHCKBFZQZGGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32O4P2/c45-49(35-19-5-1-6-20-35,36-21-7-2-8-22-36)47-41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)48-50(46,37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32H.
What are the key properties of 2-diphenylphosphoryloxy-1-(2-diphenylphosphoryloxynaphthalen-1-yl)naphthalene?
2-diphenylphosphoryloxy-1-(2-diphenylphosphoryloxynaphthalen-1-yl)naphthalene has a molecular weight of 686.68 g/mol, XLogP of 10.28, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryloxy-1-(2-diphenylphosphoryloxynaphthalen-1-yl)naphthalene is sourced from PubChem (CID 123663527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).