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

C63H56O8 — CID 130393237

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

4-[1-(4-hydroxycyclohexa-2,4-dien-1-yl)-1-[4-[1-[4-hydroxy-3-[1-(4-hydroxyphenyl)ethenyl]-5-[(4-hydroxyphenyl)methyl]phenyl]-1-(4-hydroxyphenyl)ethyl]phenyl]ethyl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol (PubChem CID 130393237) has the molecular formula C63H56O8 and a molecular weight of 941.13 g/mol. Its IUPAC name is 4-[1-(4-hydroxycyclohexa-2,4-dien-1-yl)-1-[4-[1-[4-hydroxy-3-[1-(4-hydroxyphenyl)ethenyl]-5-[(4-hydroxyphenyl)methyl]phenyl]-1-(4-hydroxyphenyl)ethyl]phenyl]ethyl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol.

Molecular Properties

• Compound Name: 4-[1-(4-hydroxycyclohexa-2,4-dien-1-yl)-1-[4-[1-[4-hydroxy-3-[1-(4-hydroxyphenyl)ethenyl]-5-[(4-hydroxyphenyl)methyl]phenyl]-1-(4-hydroxyphenyl)ethyl]phenyl]ethyl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol
• PubChem CID: 130393237
• Molecular Formula: C63H56O8
• Molecular Weight: 941.13 g/mol
• Exact Mass: 940.40
• IUPAC Name: 4-[1-(4-hydroxycyclohexa-2,4-dien-1-yl)-1-[4-[1-[4-hydroxy-3-[1-(4-hydroxyphenyl)ethenyl]-5-[(4-hydroxyphenyl)methyl]phenyl]-1-(4-hydroxyphenyl)ethyl]phenyl]ethyl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol
• SMILES: C=C(c1ccc(O)cc1)c1cc(C(C)(c2ccc(O)cc2)c2ccc(C(C)(c3cc(Cc4ccc(O)cc4)c(O)c(Cc4ccc(O)cc4)c3)C3C=CC(O)=CC3)cc2)cc(Cc2ccc(O)cc2)c1O
• InChI: InChI=1S/C63H56O8/c1-39(43-10-26-56(67)27-11-43)59-38-52(37-46(61(59)71)34-42-8-24-55(66)25-9-42)63(3,50-18-30-58(69)31-19-50)48-14-12-47(13-15-48)62(2,49-16-28-57(68)29-17-49)51-35-44(32-40-4-20-53(64)21-5-40)60(70)45(36-51)33-41-6-22-54(65)23-7-41/h4-16,18-31,35-38,49,64-71H,1,17,32-34H2,2-3H3
• InChIKey: HRSUHCQGQHGBBK-UHFFFAOYSA-N
• XLogP: 13.14
• TPSA: 161.84 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	941.13
LogP ≤ 5	13.14
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-[1-(4-hydroxycyclohexa-2,4-dien-1-yl)-1-[4-[1-[4-hydroxy-3-[1-(4-hydroxyphenyl)ethenyl]-5-[(4-hydroxyphenyl)methyl]phenyl]-1-(4-hydroxyphenyl)ethyl]phenyl]ethyl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol (CID 130393237) is 4-[1-(4-hydroxycyclohexa-2,4-dien-1-yl)-1-[4-[1-[4-hydroxy-3-[1-(4-hydroxyphenyl)ethenyl]-5-[(4-hydroxyphenyl)methyl]phenyl]-1-(4-hydroxyphenyl)ethyl]phenyl]ethyl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol.

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

The canonical SMILES for 4-[1-(4-hydroxycyclohexa-2,4-dien-1-yl)-1-[4-[1-[4-hydroxy-3-[1-(4-hydroxyphenyl)ethenyl]-5-[(4-hydroxyphenyl)methyl]phenyl]-1-(4-hydroxyphenyl)ethyl]phenyl]ethyl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol is C=C(c1ccc(O)cc1)c1cc(C(C)(c2ccc(O)cc2)c2ccc(C(C)(c3cc(Cc4ccc(O)cc4)c(O)c(Cc4ccc(O)cc4)c3)C3C=CC(O)=CC3)cc2)cc(Cc2ccc(O)cc2)c1O.

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

The InChIKey is HRSUHCQGQHGBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H56O8/c1-39(43-10-26-56(67)27-11-43)59-38-52(37-46(61(59)71)34-42-8-24-55(66)25-9-42)63(3,50-18-30-58(69)31-19-50)48-14-12-47(13-15-48)62(2,49-16-28-57(68)29-17-49)51-35-44(32-40-4-20-53(64)21-5-40)60(70)45(36-51)33-41-6-22-54(65)23-7-41/h4-16,18-31,35-38,49,64-71H,1,17,32-34H2,2-3H3.

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

4-[1-(4-hydroxycyclohexa-2,4-dien-1-yl)-1-[4-[1-[4-hydroxy-3-[1-(4-hydroxyphenyl)ethenyl]-5-[(4-hydroxyphenyl)methyl]phenyl]-1-(4-hydroxyphenyl)ethyl]phenyl]ethyl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol has a molecular weight of 941.13 g/mol, XLogP of 13.14, 14 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(4-hydroxycyclohexa-2,4-dien-1-yl)-1-[4-[1-[4-hydroxy-3-[1-(4-hydroxyphenyl)ethenyl]-5-[(4-hydroxyphenyl)methyl]phenyl]-1-(4-hydroxyphenyl)ethyl]phenyl]ethyl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol is sourced from PubChem (CID 130393237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).