4-[[4-[bis(4-hydroxy-3-methyl-5-phenylphenyl)methyl]phenyl]-(4-hydroxy-3-methyl-5-phenylphenyl)methyl]-2-methyl-6-phenylphenol

C60H50O4 — CID 139962444

IUPAC4-[[4-[bis(4-hydroxy-3-methyl-5-phenylphenyl)methyl]phenyl]-(4-hydroxy-3-methyl-5-phenylphenyl)methyl]-2-methyl-6-phenylphenol
SMILESCc1cc(C(c2ccc(C(c3cc(C)c(O)c(-c4ccccc4)c3)c3cc(C)c(O)c(-c4ccccc4)c3)cc2)c2cc(C)c(O)c(-c3ccccc3)c2)cc(-c2ccccc2)c1O
InChIInChI=1S/C60H50O4/c1-37-29-47(33-51(57(37)61)41-17-9-5-10-18-41)55(48-30-38(2)58(62)52(34-48)42-19-11-6-12-20-42)45-25-27-46(28-26-45)56(49-31-39(3)59(63)53(35-49)43-21-13-7-14-22-43)50-32-40(4)60(64)54(36-50)44-23-15-8-16-24-44/h5-36,55-56,61-64H,1-4H3
InChIKeyPXRCXQARUOXOSQ-UHFFFAOYSA-N
MW835.06 g/mol
LogP14.77
Rot. Bonds10

About 4-[[4-[bis(4-hydroxy-3-methyl-5-phenylphenyl)methyl]phenyl]-(4-hydroxy-3-methyl-5-phenylphenyl)methyl]-2-methyl-6-phenylphenol

4-[[4-[bis(4-hydroxy-3-methyl-5-phenylphenyl)methyl]phenyl]-(4-hydroxy-3-methyl-5-phenylphenyl)methyl]-2-methyl-6-phenylphenol (PubChem CID 139962444) has the molecular formula C60H50O4 and a molecular weight of 835.06 g/mol. Its IUPAC name is 4-[[4-[bis(4-hydroxy-3-methyl-5-phenylphenyl)methyl]phenyl]-(4-hydroxy-3-methyl-5-phenylphenyl)methyl]-2-methyl-6-phenylphenol.

Molecular Properties

Compound Name4-[[4-[bis(4-hydroxy-3-methyl-5-phenylphenyl)methyl]phenyl]-(4-hydroxy-3-methyl-5-phenylphenyl)methyl]-2-methyl-6-phenylphenol
PubChem CID139962444
Molecular FormulaC60H50O4
Molecular Weight835.06 g/mol
Exact Mass834.37
IUPAC Name4-[[4-[bis(4-hydroxy-3-methyl-5-phenylphenyl)methyl]phenyl]-(4-hydroxy-3-methyl-5-phenylphenyl)methyl]-2-methyl-6-phenylphenol
SMILESCc1cc(C(c2ccc(C(c3cc(C)c(O)c(-c4ccccc4)c3)c3cc(C)c(O)c(-c4ccccc4)c3)cc2)c2cc(C)c(O)c(-c3ccccc3)c2)cc(-c2ccccc2)c1O
InChIInChI=1S/C60H50O4/c1-37-29-47(33-51(57(37)61)41-17-9-5-10-18-41)55(48-30-38(2)58(62)52(34-48)42-19-11-6-12-20-42)45-25-27-46(28-26-45)56(49-31-39(3)59(63)53(35-49)43-21-13-7-14-22-43)50-32-40(4)60(64)54(36-50)44-23-15-8-16-24-44/h5-36,55-56,61-64H,1-4H3
InChIKeyPXRCXQARUOXOSQ-UHFFFAOYSA-N
XLogP14.77
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.06
LogP ≤ 514.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(4-hydroxy-3,5-diphenylphenyl)ethyl]-2,6-diphenylphenol
CID 139825093
4-[bis(4-hydroxy-3-phenylphenyl)methyl]-2-phenylphenol
CID 140882520
2,6-diphenyl-4-propan-2-ylphenol
CID 155045328
4-[bis(4-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol
CID 118667410
4-[[4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;nitromethane
CID 139145272
4-[5-(4-hydroxy-3-methyl-5-phenylphenyl)pentyl]-2-methyl-6-phenylphenol
CID 19003377
2-methyl-6-phenylphenol
CID 12592481
[4-[(4-hydroxy-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylphenyl] prop-2-enoate
CID 118402998
4-[1-(4-hydroxy-3,5-diphenylphenyl)octyl]-2,6-diphenylphenol
CID 139825043
4-[1-(4-hydroxy-3-phenylphenyl)ethyl]-2-phenylphenol
CID 22492717
2-(4-methyl-3-phenylphenyl)propanoic acid
CID 117353578
4-[4-hydroxy-3-[[2-hydroxy-5-[4-hydroxy-3-methyl-5-[1-(4-phenylphenyl)ethyl]phenyl]-3-methylphenyl]-(4-phenylphenyl)methyl]-5-methylphenyl]-2,6-dimethylphenol
CID 164762243

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[bis(4-hydroxy-3-methyl-5-phenylphenyl)methyl]phenyl]-(4-hydroxy-3-methyl-5-phenylphenyl)methyl]-2-methyl-6-phenylphenol?
The IUPAC name of 4-[[4-[bis(4-hydroxy-3-methyl-5-phenylphenyl)methyl]phenyl]-(4-hydroxy-3-methyl-5-phenylphenyl)methyl]-2-methyl-6-phenylphenol (CID 139962444) is 4-[[4-[bis(4-hydroxy-3-methyl-5-phenylphenyl)methyl]phenyl]-(4-hydroxy-3-methyl-5-phenylphenyl)methyl]-2-methyl-6-phenylphenol.
What is the SMILES notation for 4-[[4-[bis(4-hydroxy-3-methyl-5-phenylphenyl)methyl]phenyl]-(4-hydroxy-3-methyl-5-phenylphenyl)methyl]-2-methyl-6-phenylphenol?
The canonical SMILES for 4-[[4-[bis(4-hydroxy-3-methyl-5-phenylphenyl)methyl]phenyl]-(4-hydroxy-3-methyl-5-phenylphenyl)methyl]-2-methyl-6-phenylphenol is Cc1cc(C(c2ccc(C(c3cc(C)c(O)c(-c4ccccc4)c3)c3cc(C)c(O)c(-c4ccccc4)c3)cc2)c2cc(C)c(O)c(-c3ccccc3)c2)cc(-c2ccccc2)c1O.
What is the InChIKey of 4-[[4-[bis(4-hydroxy-3-methyl-5-phenylphenyl)methyl]phenyl]-(4-hydroxy-3-methyl-5-phenylphenyl)methyl]-2-methyl-6-phenylphenol?
The InChIKey is PXRCXQARUOXOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H50O4/c1-37-29-47(33-51(57(37)61)41-17-9-5-10-18-41)55(48-30-38(2)58(62)52(34-48)42-19-11-6-12-20-42)45-25-27-46(28-26-45)56(49-31-39(3)59(63)53(35-49)43-21-13-7-14-22-43)50-32-40(4)60(64)54(36-50)44-23-15-8-16-24-44/h5-36,55-56,61-64H,1-4H3.
What are the key properties of 4-[[4-[bis(4-hydroxy-3-methyl-5-phenylphenyl)methyl]phenyl]-(4-hydroxy-3-methyl-5-phenylphenyl)methyl]-2-methyl-6-phenylphenol?
4-[[4-[bis(4-hydroxy-3-methyl-5-phenylphenyl)methyl]phenyl]-(4-hydroxy-3-methyl-5-phenylphenyl)methyl]-2-methyl-6-phenylphenol has a molecular weight of 835.06 g/mol, XLogP of 14.77, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[bis(4-hydroxy-3-methyl-5-phenylphenyl)methyl]phenyl]-(4-hydroxy-3-methyl-5-phenylphenyl)methyl]-2-methyl-6-phenylphenol is sourced from PubChem (CID 139962444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).