2-diphenylphosphoryl-1-(2-diphenylphosphorylbenzo[e][1]benzofuran-1-yl)benzo[e][1]benzofuran

C48H32O4P2 — CID 12996522

IUPAC2-diphenylphosphoryl-1-(2-diphenylphosphorylbenzo[e][1]benzofuran-1-yl)benzo[e][1]benzofuran
SMILESO=P(c1ccccc1)(c1ccccc1)c1oc2ccc3ccccc3c2c1-c1c(P(=O)(c2ccccc2)c2ccccc2)oc2ccc3ccccc3c12
InChIInChI=1S/C48H32O4P2/c49-53(35-19-5-1-6-20-35,36-21-7-2-8-22-36)47-45(43-39-27-15-13-17-33(39)29-31-41(43)51-47)46-44-40-28-16-14-18-34(40)30-32-42(44)52-48(46)54(50,37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32H
InChIKeyFPCAURKZLRCQRE-UHFFFAOYSA-N
MW734.73 g/mol
LogP10.43
Rot. Bonds7

About 2-diphenylphosphoryl-1-(2-diphenylphosphorylbenzo[e][1]benzofuran-1-yl)benzo[e][1]benzofuran

2-diphenylphosphoryl-1-(2-diphenylphosphorylbenzo[e][1]benzofuran-1-yl)benzo[e][1]benzofuran (PubChem CID 12996522) has the molecular formula C48H32O4P2 and a molecular weight of 734.73 g/mol. Its IUPAC name is 2-diphenylphosphoryl-1-(2-diphenylphosphorylbenzo[e][1]benzofuran-1-yl)benzo[e][1]benzofuran.

Molecular Properties

Compound Name2-diphenylphosphoryl-1-(2-diphenylphosphorylbenzo[e][1]benzofuran-1-yl)benzo[e][1]benzofuran
PubChem CID12996522
Molecular FormulaC48H32O4P2
Molecular Weight734.73 g/mol
Exact Mass734.18
IUPAC Name2-diphenylphosphoryl-1-(2-diphenylphosphorylbenzo[e][1]benzofuran-1-yl)benzo[e][1]benzofuran
SMILESO=P(c1ccccc1)(c1ccccc1)c1oc2ccc3ccccc3c2c1-c1c(P(=O)(c2ccccc2)c2ccccc2)oc2ccc3ccccc3c12
InChIInChI=1S/C48H32O4P2/c49-53(35-19-5-1-6-20-35,36-21-7-2-8-22-36)47-45(43-39-27-15-13-17-33(39)29-31-41(43)51-47)46-44-40-28-16-14-18-34(40)30-32-42(44)52-48(46)54(50,37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32H
InChIKeyFPCAURKZLRCQRE-UHFFFAOYSA-N
XLogP10.43
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.73
LogP ≤ 510.43
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-diphenylphosphoryl-1-(2-diphenylphosphorylbenzo[e][1]benzofuran-1-yl)benzo[e][1]benzofuran?
The IUPAC name of 2-diphenylphosphoryl-1-(2-diphenylphosphorylbenzo[e][1]benzofuran-1-yl)benzo[e][1]benzofuran (CID 12996522) is 2-diphenylphosphoryl-1-(2-diphenylphosphorylbenzo[e][1]benzofuran-1-yl)benzo[e][1]benzofuran.
What is the SMILES notation for 2-diphenylphosphoryl-1-(2-diphenylphosphorylbenzo[e][1]benzofuran-1-yl)benzo[e][1]benzofuran?
The canonical SMILES for 2-diphenylphosphoryl-1-(2-diphenylphosphorylbenzo[e][1]benzofuran-1-yl)benzo[e][1]benzofuran is O=P(c1ccccc1)(c1ccccc1)c1oc2ccc3ccccc3c2c1-c1c(P(=O)(c2ccccc2)c2ccccc2)oc2ccc3ccccc3c12.
What is the InChIKey of 2-diphenylphosphoryl-1-(2-diphenylphosphorylbenzo[e][1]benzofuran-1-yl)benzo[e][1]benzofuran?
The InChIKey is FPCAURKZLRCQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32O4P2/c49-53(35-19-5-1-6-20-35,36-21-7-2-8-22-36)47-45(43-39-27-15-13-17-33(39)29-31-41(43)51-47)46-44-40-28-16-14-18-34(40)30-32-42(44)52-48(46)54(50,37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32H.
What are the key properties of 2-diphenylphosphoryl-1-(2-diphenylphosphorylbenzo[e][1]benzofuran-1-yl)benzo[e][1]benzofuran?
2-diphenylphosphoryl-1-(2-diphenylphosphorylbenzo[e][1]benzofuran-1-yl)benzo[e][1]benzofuran has a molecular weight of 734.73 g/mol, XLogP of 10.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-1-(2-diphenylphosphorylbenzo[e][1]benzofuran-1-yl)benzo[e][1]benzofuran is sourced from PubChem (CID 12996522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).