6-[[5-[2-[3,5-bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]propan-2-yl]-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide

C91H66O14P6 — CID 122501167

About 6-[[5-[2-[3,5-bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]propan-2-yl]-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide

6-[[5-[2-[3,5-bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]propan-2-yl]-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide (PubChem CID 122501167) has the molecular formula C91H66O14P6 and a molecular weight of 1569.36 g/mol. Its IUPAC name is 6-[[5-[2-[3,5-bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]propan-2-yl]-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide.

Molecular Properties

• Compound Name: 6-[[5-[2-[3,5-bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]propan-2-yl]-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
• PubChem CID: 122501167
• Molecular Formula: C91H66O14P6
• Molecular Weight: 1569.36 g/mol
• Exact Mass: 1568.29
• IUPAC Name: 6-[[5-[2-[3,5-bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]propan-2-yl]-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
• SMILES: CC(C)(c1cc(CP2(=O)Oc3ccccc3-c3ccccc32)c(OP2(=O)Oc3ccccc3-c3ccccc32)c(CP2(=O)Oc3ccccc3-c3ccccc32)c1)c1cc(CP2(=O)Oc3ccccc3-c3ccccc32)c(OP2(=O)Oc3ccccc3-c3ccccc32)c(CP2(=O)Oc3ccccc3-c3ccccc32)c1
• InChI: InChI=1S/C91H66O14P6/c1-91(2,63-51-59(55-106(92)83-45-21-9-33-71(83)65-27-3-15-39-77(65)98-106)89(104-110(96)87-49-25-13-37-75(87)69-31-7-19-43-81(69)102-110)60(52-63)56-107(93)84-46-22-10-34-72(84)66-28-4-16-40-78(66)99-107)64-53-61(57-108(94)85-47-23-11-35-73(85)67-29-5-17-41-79(67)100-108)90(105-111(97)88-50-26-14-38-76(88)70-32-8-20-44-82(70)103-111)62(54-64)58-109(95)86-48-24-12-36-74(86)68-30-6-18-42-80(68)101-109/h3-54H,55-58H2,1-2H3
• InChIKey: LZMDWEHMBJGQCB-UHFFFAOYSA-N
• XLogP: 22.58
• TPSA: 176.26 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1569.36
LogP ≤ 5	22.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[[5-[2-[3,5-bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]propan-2-yl]-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide?

The IUPAC name of 6-[[5-[2-[3,5-bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]propan-2-yl]-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide (CID 122501167) is 6-[[5-[2-[3,5-bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]propan-2-yl]-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide.

What is the SMILES notation for 6-[[5-[2-[3,5-bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]propan-2-yl]-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide?

The canonical SMILES for 6-[[5-[2-[3,5-bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]propan-2-yl]-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide is CC(C)(c1cc(CP2(=O)Oc3ccccc3-c3ccccc32)c(OP2(=O)Oc3ccccc3-c3ccccc32)c(CP2(=O)Oc3ccccc3-c3ccccc32)c1)c1cc(CP2(=O)Oc3ccccc3-c3ccccc32)c(OP2(=O)Oc3ccccc3-c3ccccc32)c(CP2(=O)Oc3ccccc3-c3ccccc32)c1.

What is the InChIKey of 6-[[5-[2-[3,5-bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]propan-2-yl]-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide?

The InChIKey is LZMDWEHMBJGQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H66O14P6/c1-91(2,63-51-59(55-106(92)83-45-21-9-33-71(83)65-27-3-15-39-77(65)98-106)89(104-110(96)87-49-25-13-37-75(87)69-31-7-19-43-81(69)102-110)60(52-63)56-107(93)84-46-22-10-34-72(84)66-28-4-16-40-78(66)99-107)64-53-61(57-108(94)85-47-23-11-35-73(85)67-29-5-17-41-79(67)100-108)90(105-111(97)88-50-26-14-38-76(88)70-32-8-20-44-82(70)103-111)62(54-64)58-109(95)86-48-24-12-36-74(86)68-30-6-18-42-80(68)101-109/h3-54H,55-58H2,1-2H3.

What are the key properties of 6-[[5-[2-[3,5-bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]propan-2-yl]-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide?

6-[[5-[2-[3,5-bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]propan-2-yl]-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide has a molecular weight of 1569.36 g/mol, XLogP of 22.58, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[5-[2-[3,5-bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]propan-2-yl]-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide is sourced from PubChem (CID 122501167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).