tetrakis(tetraphenyl-λ5-phosphanyl) benzene-1,2,4,5-tetracarboxylate

C106H82O8P4 — CID 139970588

About tetrakis(tetraphenyl-λ5-phosphanyl) benzene-1,2,4,5-tetracarboxylate

tetrakis(tetraphenyl-λ5-phosphanyl) benzene-1,2,4,5-tetracarboxylate (PubChem CID 139970588) has the molecular formula C106H82O8P4 and a molecular weight of 1607.71 g/mol. Its IUPAC name is tetrakis(tetraphenyl-λ5-phosphanyl) benzene-1,2,4,5-tetracarboxylate.

Molecular Properties

• Compound Name: tetrakis(tetraphenyl-λ5-phosphanyl) benzene-1,2,4,5-tetracarboxylate
• PubChem CID: 139970588
• Molecular Formula: C106H82O8P4
• Molecular Weight: 1607.71 g/mol
• Exact Mass: 1606.50
• IUPAC Name: tetrakis(tetraphenyl-λ5-phosphanyl) benzene-1,2,4,5-tetracarboxylate
• SMILES: O=C(OP(c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(C(=O)OP(c2ccccc2)(c2ccccc2)(c2ccccc2)c2ccccc2)c(C(=O)OP(c2ccccc2)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1C(=O)OP(c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C106H82O8P4/c107-103(111-115(83-49-17-1-18-50-83,84-51-19-2-20-52-84,85-53-21-3-22-54-85)86-55-23-4-24-56-86)99-81-101(105(109)113-117(91-65-33-9-34-66-91,92-67-35-10-36-68-92,93-69-37-11-38-70-93)94-71-39-12-40-72-94)102(106(110)114-118(95-73-41-13-42-74-95,96-75-43-14-44-76-96,97-77-45-15-46-78-97)98-79-47-16-48-80-98)82-100(99)104(108)112-116(87-57-25-5-26-58-87,88-59-27-6-28-60-88,89-61-29-7-30-62-89)90-63-31-8-32-64-90/h1-82H
• InChIKey: GNOFYRJREISXPZ-UHFFFAOYSA-N
• XLogP: 17.40
• TPSA: 105.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 24
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1607.71
LogP ≤ 5	17.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis(tetraphenyl-λ5-phosphanyl) benzene-1,2,4,5-tetracarboxylate?

The IUPAC name of tetrakis(tetraphenyl-λ5-phosphanyl) benzene-1,2,4,5-tetracarboxylate (CID 139970588) is tetrakis(tetraphenyl-λ5-phosphanyl) benzene-1,2,4,5-tetracarboxylate.

What is the SMILES notation for tetrakis(tetraphenyl-λ5-phosphanyl) benzene-1,2,4,5-tetracarboxylate?

The canonical SMILES for tetrakis(tetraphenyl-λ5-phosphanyl) benzene-1,2,4,5-tetracarboxylate is O=C(OP(c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(C(=O)OP(c2ccccc2)(c2ccccc2)(c2ccccc2)c2ccccc2)c(C(=O)OP(c2ccccc2)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1C(=O)OP(c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.

What is the InChIKey of tetrakis(tetraphenyl-λ5-phosphanyl) benzene-1,2,4,5-tetracarboxylate?

The InChIKey is GNOFYRJREISXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H82O8P4/c107-103(111-115(83-49-17-1-18-50-83,84-51-19-2-20-52-84,85-53-21-3-22-54-85)86-55-23-4-24-56-86)99-81-101(105(109)113-117(91-65-33-9-34-66-91,92-67-35-10-36-68-92,93-69-37-11-38-70-93)94-71-39-12-40-72-94)102(106(110)114-118(95-73-41-13-42-74-95,96-75-43-14-44-76-96,97-77-45-15-46-78-97)98-79-47-16-48-80-98)82-100(99)104(108)112-116(87-57-25-5-26-58-87,88-59-27-6-28-60-88,89-61-29-7-30-62-89)90-63-31-8-32-64-90/h1-82H.

What are the key properties of tetrakis(tetraphenyl-λ5-phosphanyl) benzene-1,2,4,5-tetracarboxylate?

tetrakis(tetraphenyl-λ5-phosphanyl) benzene-1,2,4,5-tetracarboxylate has a molecular weight of 1607.71 g/mol, XLogP of 17.40, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(tetraphenyl-λ5-phosphanyl) benzene-1,2,4,5-tetracarboxylate is sourced from PubChem (CID 139970588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).