2-[4-[4-[4-[3-hydroxy-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,4-dien-1-ol

C57H50O2 — CID 91157778

IUPAC2-[4-[4-[4-[3-hydroxy-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,4-dien-1-ol
SMILESCC1=CC=C(C2=CC=C(C3=CC=C(C4=CC(O)=C(C5=CC=C(C6=CC=C(C7=CC=C(C8=CC(O)=C(C9=CC=C(C%10=CC=C(C%11=CC=C(C)C%11)C%10)C9)C8)C7)C6)C5)C4)C3)C2)C1
InChIInChI=1S/C57H50O2/c1-34-3-5-36(21-34)38-7-9-40(23-38)44-13-15-48(26-44)52-30-55(57(59)32-52)51-20-18-47(29-51)43-12-11-41(25-43)45-14-16-49(27-45)53-31-54(56(58)33-53)50-19-17-46(28-50)42-10-8-39(24-42)37-6-4-35(2)22-37/h3-20,32-33,58-59H,21-31H2,1-2H3
InChIKeyXBNJZEDMYOXRHQ-UHFFFAOYSA-N
MW767.02 g/mol
LogP14.62
Rot. Bonds10

About 2-[4-[4-[4-[3-hydroxy-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,4-dien-1-ol

2-[4-[4-[4-[3-hydroxy-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,4-dien-1-ol (PubChem CID 91157778) has the molecular formula C57H50O2 and a molecular weight of 767.02 g/mol. Its IUPAC name is 2-[4-[4-[4-[3-hydroxy-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,4-dien-1-ol.

Molecular Properties

Compound Name2-[4-[4-[4-[3-hydroxy-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,4-dien-1-ol
PubChem CID91157778
Molecular FormulaC57H50O2
Molecular Weight767.02 g/mol
Exact Mass766.38
IUPAC Name2-[4-[4-[4-[3-hydroxy-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,4-dien-1-ol
SMILESCC1=CC=C(C2=CC=C(C3=CC=C(C4=CC(O)=C(C5=CC=C(C6=CC=C(C7=CC=C(C8=CC(O)=C(C9=CC=C(C%10=CC=C(C%11=CC=C(C)C%11)C%10)C9)C8)C7)C6)C5)C4)C3)C2)C1
InChIInChI=1S/C57H50O2/c1-34-3-5-36(21-34)38-7-9-40(23-38)44-13-15-48(26-44)52-30-55(57(59)32-52)51-20-18-47(29-51)43-12-11-41(25-43)45-14-16-49(27-45)53-31-54(56(58)33-53)50-19-17-46(28-50)42-10-8-39(24-42)37-6-4-35(2)22-37/h3-20,32-33,58-59H,21-31H2,1-2H3
InChIKeyXBNJZEDMYOXRHQ-UHFFFAOYSA-N
XLogP14.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.02
LogP ≤ 514.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-[4-[4-[3-hydroxy-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,4-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene
CID 59165307
4-methylcyclopenta-1,3-dien-1-ol
CID 72585144
2-methyl-5-(4-methylcyclopenta-1,3-dien-1-yl)-1H-pyrrole
CID 58342273
1-methyl-2-(4-methylcyclopenta-1,3-dien-1-yl)-4-prop-1-en-2-ylbenzene
CID 144513780
1-iodo-4-methylcyclopenta-1,3-diene
CID 146551117
1-fluoro-4-methylcyclopenta-1,3-diene
CID 143604595
1-methyl-4-prop-1-en-2-ylcyclopenta-1,3-diene
CID 143480455
1-methyl-4-propylcyclopenta-1,3-diene
CID 18798459
10-hydroxy-3-methyl-4H-anthracen-9-one
CID 143056361
11-methyl-4-azatricyclo[6.4.1.04,13]trideca-1(13),8,10-trien-5-one
CID 142261066
methane;4-methylcyclohexa-1,3-dien-1-ol
CID 142050116
1-(4-methylcyclopenta-1,3-dien-1-yl)-N-propylmethanimine
CID 142957690

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-[3-hydroxy-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,4-dien-1-ol?
The IUPAC name of 2-[4-[4-[4-[3-hydroxy-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,4-dien-1-ol (CID 91157778) is 2-[4-[4-[4-[3-hydroxy-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,4-dien-1-ol.
What is the SMILES notation for 2-[4-[4-[4-[3-hydroxy-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,4-dien-1-ol?
The canonical SMILES for 2-[4-[4-[4-[3-hydroxy-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,4-dien-1-ol is CC1=CC=C(C2=CC=C(C3=CC=C(C4=CC(O)=C(C5=CC=C(C6=CC=C(C7=CC=C(C8=CC(O)=C(C9=CC=C(C%10=CC=C(C%11=CC=C(C)C%11)C%10)C9)C8)C7)C6)C5)C4)C3)C2)C1.
What is the InChIKey of 2-[4-[4-[4-[3-hydroxy-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,4-dien-1-ol?
The InChIKey is XBNJZEDMYOXRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H50O2/c1-34-3-5-36(21-34)38-7-9-40(23-38)44-13-15-48(26-44)52-30-55(57(59)32-52)51-20-18-47(29-51)43-12-11-41(25-43)45-14-16-49(27-45)53-31-54(56(58)33-53)50-19-17-46(28-50)42-10-8-39(24-42)37-6-4-35(2)22-37/h3-20,32-33,58-59H,21-31H2,1-2H3.
What are the key properties of 2-[4-[4-[4-[3-hydroxy-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,4-dien-1-ol?
2-[4-[4-[4-[3-hydroxy-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,4-dien-1-ol has a molecular weight of 767.02 g/mol, XLogP of 14.62, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-[3-hydroxy-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,4-dien-1-ol is sourced from PubChem (CID 91157778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).