4-[[4-[4-[[4-[4-[2-[4-[3,5-dimethyl-4-[[4-[4-[[4-methyl-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]methyl]phenyl]phenyl]methoxy]phenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-2,6-dimethylphenoxy]methyl]phenyl]phenyl]methoxy]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenol

C100H88O11P2 — CID 126731339

About 4-[[4-[4-[[4-[4-[2-[4-[3,5-dimethyl-4-[[4-[4-[[4-methyl-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]methyl]phenyl]phenyl]methoxy]phenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-2,6-dimethylphenoxy]methyl]phenyl]phenyl]methoxy]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenol

4-[[4-[4-[[4-[4-[2-[4-[3,5-dimethyl-4-[[4-[4-[[4-methyl-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]methyl]phenyl]phenyl]methoxy]phenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-2,6-dimethylphenoxy]methyl]phenyl]phenyl]methoxy]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenol (PubChem CID 126731339) has the molecular formula C100H88O11P2 and a molecular weight of 1527.74 g/mol. Its IUPAC name is 4-[[4-[4-[[4-[4-[2-[4-[3,5-dimethyl-4-[[4-[4-[[4-methyl-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]methyl]phenyl]phenyl]methoxy]phenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-2,6-dimethylphenoxy]methyl]phenyl]phenyl]methoxy]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenol.

Molecular Properties

• Compound Name: 4-[[4-[4-[[4-[4-[2-[4-[3,5-dimethyl-4-[[4-[4-[[4-methyl-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]methyl]phenyl]phenyl]methoxy]phenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-2,6-dimethylphenoxy]methyl]phenyl]phenyl]methoxy]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenol
• PubChem CID: 126731339
• Molecular Formula: C100H88O11P2
• Molecular Weight: 1527.74 g/mol
• Exact Mass: 1526.58
• IUPAC Name: 4-[[4-[4-[[4-[4-[2-[4-[3,5-dimethyl-4-[[4-[4-[[4-methyl-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]methyl]phenyl]phenyl]methoxy]phenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-2,6-dimethylphenoxy]methyl]phenyl]phenyl]methoxy]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenol
• SMILES: Cc1ccc(OCc2ccc(-c3ccc(COc4c(C)cc(Oc5c(C)cc(C(C)(C)c6cc(C)c(Oc7cc(C)c(OCc8ccc(-c9ccc(COc%10ccc(O)c(P%11(=O)Oc%12ccccc%12-c%12ccccc%12%11)c%10)cc9)cc8)c(C)c7)c(C)c6)cc5C)cc4C)cc3)cc2)c(P2(=O)Oc3ccccc3-c3ccccc32)c1
• InChI: InChI=1S/C100H88O11P2/c1-62-28-47-91(95(48-62)113(103)93-27-19-15-23-87(93)85-21-13-17-25-90(85)111-113)105-59-72-31-39-76(40-32-72)78-43-35-74(36-44-78)61-107-97-69(8)55-83(56-70(97)9)109-99-65(4)51-80(52-66(99)5)100(10,11)79-49-63(2)98(64(3)50-79)108-82-53-67(6)96(68(7)54-82)106-60-73-33-41-77(42-34-73)75-37-29-71(30-38-75)58-104-81-45-46-88(101)94(57-81)112(102)92-26-18-14-22-86(92)84-20-12-16-24-89(84)110-112/h12-57,101H,58-61H2,1-11H3
• InChIKey: LULTUNBUWRVNPH-UHFFFAOYSA-N
• XLogP: 24.31
• TPSA: 128.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 22
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1527.74
LogP ≤ 5	24.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-[[4-[4-[2-[4-[3,5-dimethyl-4-[[4-[4-[[4-methyl-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]methyl]phenyl]phenyl]methoxy]phenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-2,6-dimethylphenoxy]methyl]phenyl]phenyl]methoxy]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenol?

The IUPAC name of 4-[[4-[4-[[4-[4-[2-[4-[3,5-dimethyl-4-[[4-[4-[[4-methyl-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]methyl]phenyl]phenyl]methoxy]phenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-2,6-dimethylphenoxy]methyl]phenyl]phenyl]methoxy]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenol (CID 126731339) is 4-[[4-[4-[[4-[4-[2-[4-[3,5-dimethyl-4-[[4-[4-[[4-methyl-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]methyl]phenyl]phenyl]methoxy]phenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-2,6-dimethylphenoxy]methyl]phenyl]phenyl]methoxy]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenol.

What is the SMILES notation for 4-[[4-[4-[[4-[4-[2-[4-[3,5-dimethyl-4-[[4-[4-[[4-methyl-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]methyl]phenyl]phenyl]methoxy]phenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-2,6-dimethylphenoxy]methyl]phenyl]phenyl]methoxy]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenol?

The canonical SMILES for 4-[[4-[4-[[4-[4-[2-[4-[3,5-dimethyl-4-[[4-[4-[[4-methyl-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]methyl]phenyl]phenyl]methoxy]phenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-2,6-dimethylphenoxy]methyl]phenyl]phenyl]methoxy]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenol is Cc1ccc(OCc2ccc(-c3ccc(COc4c(C)cc(Oc5c(C)cc(C(C)(C)c6cc(C)c(Oc7cc(C)c(OCc8ccc(-c9ccc(COc%10ccc(O)c(P%11(=O)Oc%12ccccc%12-c%12ccccc%12%11)c%10)cc9)cc8)c(C)c7)c(C)c6)cc5C)cc4C)cc3)cc2)c(P2(=O)Oc3ccccc3-c3ccccc32)c1.

What is the InChIKey of 4-[[4-[4-[[4-[4-[2-[4-[3,5-dimethyl-4-[[4-[4-[[4-methyl-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]methyl]phenyl]phenyl]methoxy]phenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-2,6-dimethylphenoxy]methyl]phenyl]phenyl]methoxy]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenol?

The InChIKey is LULTUNBUWRVNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H88O11P2/c1-62-28-47-91(95(48-62)113(103)93-27-19-15-23-87(93)85-21-13-17-25-90(85)111-113)105-59-72-31-39-76(40-32-72)78-43-35-74(36-44-78)61-107-97-69(8)55-83(56-70(97)9)109-99-65(4)51-80(52-66(99)5)100(10,11)79-49-63(2)98(64(3)50-79)108-82-53-67(6)96(68(7)54-82)106-60-73-33-41-77(42-34-73)75-37-29-71(30-38-75)58-104-81-45-46-88(101)94(57-81)112(102)92-26-18-14-22-86(92)84-20-12-16-24-89(84)110-112/h12-57,101H,58-61H2,1-11H3.

What are the key properties of 4-[[4-[4-[[4-[4-[2-[4-[3,5-dimethyl-4-[[4-[4-[[4-methyl-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]methyl]phenyl]phenyl]methoxy]phenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-2,6-dimethylphenoxy]methyl]phenyl]phenyl]methoxy]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenol?

4-[[4-[4-[[4-[4-[2-[4-[3,5-dimethyl-4-[[4-[4-[[4-methyl-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]methyl]phenyl]phenyl]methoxy]phenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-2,6-dimethylphenoxy]methyl]phenyl]phenyl]methoxy]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenol has a molecular weight of 1527.74 g/mol, XLogP of 24.31, 22 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-[4-[[4-[4-[2-[4-[3,5-dimethyl-4-[[4-[4-[[4-methyl-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]methyl]phenyl]phenyl]methoxy]phenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-2,6-dimethylphenoxy]methyl]phenyl]phenyl]methoxy]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenol is sourced from PubChem (CID 126731339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).