4-[2-[4-[1-[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-1-[3-[(4-hydroxyphenyl)methyl]-5-[(4-methylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol

C72H66O7 — CID 143901395

About 4-[2-[4-[1-[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-1-[3-[(4-hydroxyphenyl)methyl]-5-[(4-methylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol

4-[2-[4-[1-[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-1-[3-[(4-hydroxyphenyl)methyl]-5-[(4-methylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol (PubChem CID 143901395) has the molecular formula C72H66O7 and a molecular weight of 1043.31 g/mol. Its IUPAC name is 4-[2-[4-[1-[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-1-[3-[(4-hydroxyphenyl)methyl]-5-[(4-methylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol.

Molecular Properties

• Compound Name: 4-[2-[4-[1-[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-1-[3-[(4-hydroxyphenyl)methyl]-5-[(4-methylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol
• PubChem CID: 143901395
• Molecular Formula: C72H66O7
• Molecular Weight: 1043.31 g/mol
• Exact Mass: 1042.48
• IUPAC Name: 4-[2-[4-[1-[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-1-[3-[(4-hydroxyphenyl)methyl]-5-[(4-methylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol
• SMILES: Cc1ccc(Cc2cc(Cc3ccc(O)cc3)cc(C(C)(c3ccc(C(C)(C)c4cc(Cc5ccc(O)cc5)c(O)c(Cc5ccc(O)cc5)c4)cc3)c3cc(Cc4ccc(O)cc4)c(O)c(Cc4ccc(O)cc4)c3)c2)cc1
• InChI: InChI=1S/C72H66O7/c1-46-5-7-47(8-6-46)33-53-35-54(34-48-9-23-64(73)24-10-48)41-62(40-53)72(4,63-44-57(38-51-15-29-67(76)30-16-51)70(79)58(45-63)39-52-17-31-68(77)32-18-52)60-21-19-59(20-22-60)71(2,3)61-42-55(36-49-11-25-65(74)26-12-49)69(78)56(43-61)37-50-13-27-66(75)28-14-50/h5-32,35,40-45,73-79H,33-34,36-39H2,1-4H3
• InChIKey: YWQWQKJCJDSYCM-UHFFFAOYSA-N
• XLogP: 15.16
• TPSA: 141.61 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1043.31
LogP ≤ 5	15.16
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[1-[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-1-[3-[(4-hydroxyphenyl)methyl]-5-[(4-methylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol?

The IUPAC name of 4-[2-[4-[1-[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-1-[3-[(4-hydroxyphenyl)methyl]-5-[(4-methylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol (CID 143901395) is 4-[2-[4-[1-[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-1-[3-[(4-hydroxyphenyl)methyl]-5-[(4-methylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol.

What is the SMILES notation for 4-[2-[4-[1-[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-1-[3-[(4-hydroxyphenyl)methyl]-5-[(4-methylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol?

The canonical SMILES for 4-[2-[4-[1-[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-1-[3-[(4-hydroxyphenyl)methyl]-5-[(4-methylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol is Cc1ccc(Cc2cc(Cc3ccc(O)cc3)cc(C(C)(c3ccc(C(C)(C)c4cc(Cc5ccc(O)cc5)c(O)c(Cc5ccc(O)cc5)c4)cc3)c3cc(Cc4ccc(O)cc4)c(O)c(Cc4ccc(O)cc4)c3)c2)cc1.

What is the InChIKey of 4-[2-[4-[1-[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-1-[3-[(4-hydroxyphenyl)methyl]-5-[(4-methylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol?

The InChIKey is YWQWQKJCJDSYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H66O7/c1-46-5-7-47(8-6-46)33-53-35-54(34-48-9-23-64(73)24-10-48)41-62(40-53)72(4,63-44-57(38-51-15-29-67(76)30-16-51)70(79)58(45-63)39-52-17-31-68(77)32-18-52)60-21-19-59(20-22-60)71(2,3)61-42-55(36-49-11-25-65(74)26-12-49)69(78)56(43-61)37-50-13-27-66(75)28-14-50/h5-32,35,40-45,73-79H,33-34,36-39H2,1-4H3.

What are the key properties of 4-[2-[4-[1-[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-1-[3-[(4-hydroxyphenyl)methyl]-5-[(4-methylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol?

4-[2-[4-[1-[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-1-[3-[(4-hydroxyphenyl)methyl]-5-[(4-methylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol has a molecular weight of 1043.31 g/mol, XLogP of 15.16, 17 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-[1-[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-1-[3-[(4-hydroxyphenyl)methyl]-5-[(4-methylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol is sourced from PubChem (CID 143901395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).