2-[[4-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]-4-(4-hydroxyphenyl)phenol

C54H42O6 — CID 126693566

IUPAC2-[[4-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]-4-(4-hydroxyphenyl)phenol
SMILESOc1ccc(C2=CC(C(c3ccc(C(c4cc(-c5ccc(O)cc5)ccc4O)C4C=CC(c5ccc(O)cc5)=C4)cc3)c3cc(-c4ccc(O)cc4)ccc3O)C=C2)cc1
InChIInChI=1S/C54H42O6/c55-45-19-9-33(10-20-45)39-5-7-43(29-39)53(49-31-41(17-27-51(49)59)35-13-23-47(57)24-14-35)37-1-2-38(4-3-37)54(44-8-6-40(30-44)34-11-21-46(56)22-12-34)50-32-42(18-28-52(50)60)36-15-25-48(58)26-16-36/h1-32,43-44,53-60H
InChIKeyRPGSSWKAOQBELW-UHFFFAOYSA-N
MW786.92 g/mol
LogP12.06
Rot. Bonds10

About 2-[[4-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]-4-(4-hydroxyphenyl)phenol

2-[[4-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]-4-(4-hydroxyphenyl)phenol (PubChem CID 126693566) has the molecular formula C54H42O6 and a molecular weight of 786.92 g/mol. Its IUPAC name is 2-[[4-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]-4-(4-hydroxyphenyl)phenol.

Molecular Properties

Compound Name2-[[4-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]-4-(4-hydroxyphenyl)phenol
PubChem CID126693566
Molecular FormulaC54H42O6
Molecular Weight786.92 g/mol
Exact Mass786.30
IUPAC Name2-[[4-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]-4-(4-hydroxyphenyl)phenol
SMILESOc1ccc(C2=CC(C(c3ccc(C(c4cc(-c5ccc(O)cc5)ccc4O)C4C=CC(c5ccc(O)cc5)=C4)cc3)c3cc(-c4ccc(O)cc4)ccc3O)C=C2)cc1
InChIInChI=1S/C54H42O6/c55-45-19-9-33(10-20-45)39-5-7-43(29-39)53(49-31-41(17-27-51(49)59)35-13-23-47(57)24-14-35)37-1-2-38(4-3-37)54(44-8-6-40(30-44)34-11-21-46(56)22-12-34)50-32-42(18-28-52(50)60)36-15-25-48(58)26-16-36/h1-32,43-44,53-60H
InChIKeyRPGSSWKAOQBELW-UHFFFAOYSA-N
XLogP12.06
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500786.92
LogP ≤ 512.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]-4-(4-hydroxyphenyl)phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]-4-(4-hydroxyphenyl)phenol?
The IUPAC name of 2-[[4-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]-4-(4-hydroxyphenyl)phenol (CID 126693566) is 2-[[4-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]-4-(4-hydroxyphenyl)phenol.
What is the SMILES notation for 2-[[4-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]-4-(4-hydroxyphenyl)phenol?
The canonical SMILES for 2-[[4-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]-4-(4-hydroxyphenyl)phenol is Oc1ccc(C2=CC(C(c3ccc(C(c4cc(-c5ccc(O)cc5)ccc4O)C4C=CC(c5ccc(O)cc5)=C4)cc3)c3cc(-c4ccc(O)cc4)ccc3O)C=C2)cc1.
What is the InChIKey of 2-[[4-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]-4-(4-hydroxyphenyl)phenol?
The InChIKey is RPGSSWKAOQBELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42O6/c55-45-19-9-33(10-20-45)39-5-7-43(29-39)53(49-31-41(17-27-51(49)59)35-13-23-47(57)24-14-35)37-1-2-38(4-3-37)54(44-8-6-40(30-44)34-11-21-46(56)22-12-34)50-32-42(18-28-52(50)60)36-15-25-48(58)26-16-36/h1-32,43-44,53-60H.
What are the key properties of 2-[[4-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]-4-(4-hydroxyphenyl)phenol?
2-[[4-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]-4-(4-hydroxyphenyl)phenol has a molecular weight of 786.92 g/mol, XLogP of 12.06, 10 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]-4-(4-hydroxyphenyl)phenol is sourced from PubChem (CID 126693566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).