1,2-bis[bis(2-phenylphenyl)phosphoryl]biphenylene

C60H42O2P2 — CID 87834979

IUPAC1,2-bis[bis(2-phenylphenyl)phosphoryl]biphenylene
SMILESO=P(c1ccccc1-c1ccccc1)(c1ccccc1-c1ccccc1)c1ccc2c(c1P(=O)(c1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1)-c1ccccc1-2
InChIInChI=1S/C60H42O2P2/c61-63(54-37-19-15-31-47(54)43-23-5-1-6-24-43,55-38-20-16-32-48(55)44-25-7-2-8-26-44)58-42-41-53-51-35-13-14-36-52(51)59(53)60(58)64(62,56-39-21-17-33-49(56)45-27-9-3-10-28-45)57-40-22-18-34-50(57)46-29-11-4-12-30-46/h1-42H
InChIKeyOEEOISSISMHVBD-UHFFFAOYSA-N
MW856.94 g/mol
LogP13.28
Rot. Bonds10

About 1,2-bis[bis(2-phenylphenyl)phosphoryl]biphenylene

1,2-bis[bis(2-phenylphenyl)phosphoryl]biphenylene (PubChem CID 87834979) has the molecular formula C60H42O2P2 and a molecular weight of 856.94 g/mol. Its IUPAC name is 1,2-bis[bis(2-phenylphenyl)phosphoryl]biphenylene.

Molecular Properties

Compound Name1,2-bis[bis(2-phenylphenyl)phosphoryl]biphenylene
PubChem CID87834979
Molecular FormulaC60H42O2P2
Molecular Weight856.94 g/mol
Exact Mass856.27
IUPAC Name1,2-bis[bis(2-phenylphenyl)phosphoryl]biphenylene
SMILESO=P(c1ccccc1-c1ccccc1)(c1ccccc1-c1ccccc1)c1ccc2c(c1P(=O)(c1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1)-c1ccccc1-2
InChIInChI=1S/C60H42O2P2/c61-63(54-37-19-15-31-47(54)43-23-5-1-6-24-43,55-38-20-16-32-48(55)44-25-7-2-8-26-44)58-42-41-53-51-35-13-14-36-52(51)59(53)60(58)64(62,56-39-21-17-33-49(56)45-27-9-3-10-28-45)57-40-22-18-34-50(57)46-29-11-4-12-30-46/h1-42H
InChIKeyOEEOISSISMHVBD-UHFFFAOYSA-N
XLogP13.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.94
LogP ≤ 513.28
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 1,2-bis[bis(2-phenylphenyl)phosphoryl]biphenylene?
The IUPAC name of 1,2-bis[bis(2-phenylphenyl)phosphoryl]biphenylene (CID 87834979) is 1,2-bis[bis(2-phenylphenyl)phosphoryl]biphenylene.
What is the SMILES notation for 1,2-bis[bis(2-phenylphenyl)phosphoryl]biphenylene?
The canonical SMILES for 1,2-bis[bis(2-phenylphenyl)phosphoryl]biphenylene is O=P(c1ccccc1-c1ccccc1)(c1ccccc1-c1ccccc1)c1ccc2c(c1P(=O)(c1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1)-c1ccccc1-2.
What is the InChIKey of 1,2-bis[bis(2-phenylphenyl)phosphoryl]biphenylene?
The InChIKey is OEEOISSISMHVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42O2P2/c61-63(54-37-19-15-31-47(54)43-23-5-1-6-24-43,55-38-20-16-32-48(55)44-25-7-2-8-26-44)58-42-41-53-51-35-13-14-36-52(51)59(53)60(58)64(62,56-39-21-17-33-49(56)45-27-9-3-10-28-45)57-40-22-18-34-50(57)46-29-11-4-12-30-46/h1-42H.
What are the key properties of 1,2-bis[bis(2-phenylphenyl)phosphoryl]biphenylene?
1,2-bis[bis(2-phenylphenyl)phosphoryl]biphenylene has a molecular weight of 856.94 g/mol, XLogP of 13.28, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[bis(2-phenylphenyl)phosphoryl]biphenylene is sourced from PubChem (CID 87834979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).