2-[[4-bis(4-dinaphthalen-2-ylphosphorylphenyl)phosphorylphenyl]-naphthalen-2-ylphosphoryl]naphthalene

C78H54O4P4 — CID 58982890

IUPAC2-[[4-bis(4-dinaphthalen-2-ylphosphorylphenyl)phosphorylphenyl]-naphthalen-2-ylphosphoryl]naphthalene
SMILESO=P(c1ccc(P(=O)(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1)(c1ccc(P(=O)(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1)c1ccc(P(=O)(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C78H54O4P4/c79-83(67-37-43-70(44-38-67)84(80,73-31-25-55-13-1-7-19-61(55)49-73)74-32-26-56-14-2-8-20-62(56)50-74,68-39-45-71(46-40-68)85(81,75-33-27-57-15-3-9-21-63(57)51-75)76-34-28-58-16-4-10-22-64(58)52-76)69-41-47-72(48-42-69)86(82,77-35-29-59-17-5-11-23-65(59)53-77)78-36-30-60-18-6-12-24-66(60)54-78/h1-54H
InChIKeyRRBXQZCBUCDYSO-UHFFFAOYSA-N
MW1179.18 g/mol
LogP15.16
Rot. Bonds12

About 2-[[4-bis(4-dinaphthalen-2-ylphosphorylphenyl)phosphorylphenyl]-naphthalen-2-ylphosphoryl]naphthalene

2-[[4-bis(4-dinaphthalen-2-ylphosphorylphenyl)phosphorylphenyl]-naphthalen-2-ylphosphoryl]naphthalene (PubChem CID 58982890) has the molecular formula C78H54O4P4 and a molecular weight of 1179.18 g/mol. Its IUPAC name is 2-[[4-bis(4-dinaphthalen-2-ylphosphorylphenyl)phosphorylphenyl]-naphthalen-2-ylphosphoryl]naphthalene.

Molecular Properties

Compound Name2-[[4-bis(4-dinaphthalen-2-ylphosphorylphenyl)phosphorylphenyl]-naphthalen-2-ylphosphoryl]naphthalene
PubChem CID58982890
Molecular FormulaC78H54O4P4
Molecular Weight1179.18 g/mol
Exact Mass1178.30
IUPAC Name2-[[4-bis(4-dinaphthalen-2-ylphosphorylphenyl)phosphorylphenyl]-naphthalen-2-ylphosphoryl]naphthalene
SMILESO=P(c1ccc(P(=O)(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1)(c1ccc(P(=O)(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1)c1ccc(P(=O)(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C78H54O4P4/c79-83(67-37-43-70(44-38-67)84(80,73-31-25-55-13-1-7-19-61(55)49-73)74-32-26-56-14-2-8-20-62(56)50-74,68-39-45-71(46-40-68)85(81,75-33-27-57-15-3-9-21-63(57)51-75)76-34-28-58-16-4-10-22-64(58)52-76)69-41-47-72(48-42-69)86(82,77-35-29-59-17-5-11-23-65(59)53-77)78-36-30-60-18-6-12-24-66(60)54-78/h1-54H
InChIKeyRRBXQZCBUCDYSO-UHFFFAOYSA-N
XLogP15.16
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001179.18
LogP ≤ 515.16
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-[[4-bis(4-dinaphthalen-2-ylphosphorylphenyl)phosphorylphenyl]-naphthalen-2-ylphosphoryl]naphthalene?
The IUPAC name of 2-[[4-bis(4-dinaphthalen-2-ylphosphorylphenyl)phosphorylphenyl]-naphthalen-2-ylphosphoryl]naphthalene (CID 58982890) is 2-[[4-bis(4-dinaphthalen-2-ylphosphorylphenyl)phosphorylphenyl]-naphthalen-2-ylphosphoryl]naphthalene.
What is the SMILES notation for 2-[[4-bis(4-dinaphthalen-2-ylphosphorylphenyl)phosphorylphenyl]-naphthalen-2-ylphosphoryl]naphthalene?
The canonical SMILES for 2-[[4-bis(4-dinaphthalen-2-ylphosphorylphenyl)phosphorylphenyl]-naphthalen-2-ylphosphoryl]naphthalene is O=P(c1ccc(P(=O)(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1)(c1ccc(P(=O)(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1)c1ccc(P(=O)(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[[4-bis(4-dinaphthalen-2-ylphosphorylphenyl)phosphorylphenyl]-naphthalen-2-ylphosphoryl]naphthalene?
The InChIKey is RRBXQZCBUCDYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H54O4P4/c79-83(67-37-43-70(44-38-67)84(80,73-31-25-55-13-1-7-19-61(55)49-73)74-32-26-56-14-2-8-20-62(56)50-74,68-39-45-71(46-40-68)85(81,75-33-27-57-15-3-9-21-63(57)51-75)76-34-28-58-16-4-10-22-64(58)52-76)69-41-47-72(48-42-69)86(82,77-35-29-59-17-5-11-23-65(59)53-77)78-36-30-60-18-6-12-24-66(60)54-78/h1-54H.
What are the key properties of 2-[[4-bis(4-dinaphthalen-2-ylphosphorylphenyl)phosphorylphenyl]-naphthalen-2-ylphosphoryl]naphthalene?
2-[[4-bis(4-dinaphthalen-2-ylphosphorylphenyl)phosphorylphenyl]-naphthalen-2-ylphosphoryl]naphthalene has a molecular weight of 1179.18 g/mol, XLogP of 15.16, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-bis(4-dinaphthalen-2-ylphosphorylphenyl)phosphorylphenyl]-naphthalen-2-ylphosphoryl]naphthalene is sourced from PubChem (CID 58982890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).