2-cyclohexyl-4-[[5-cyclohexyl-2-(9H-fluoren-1-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methyl]-5-(9H-fluoren-1-yl)phenol

C57H52O3 — CID 160991306

IUPAC2-cyclohexyl-4-[[5-cyclohexyl-2-(9H-fluoren-1-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methyl]-5-(9H-fluoren-1-yl)phenol
SMILESOc1ccc(C(c2cc(C3CCCCC3)c(O)cc2-c2cccc3c2Cc2ccccc2-3)c2cc(C3CCCCC3)c(O)cc2-c2cccc3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C57H52O3/c58-40-27-25-37(26-28-40)57(53-31-47(35-13-3-1-4-14-35)55(59)33-51(53)45-23-11-21-43-41-19-9-7-17-38(41)29-49(43)45)54-32-48(36-15-5-2-6-16-36)56(60)34-52(54)46-24-12-22-44-42-20-10-8-18-39(42)30-50(44)46/h7-12,17-28,31-36,57-60H,1-6,13-16,29-30H2
InChIKeyTUQYWZLWWRFDDW-UHFFFAOYSA-N
MW785.04 g/mol
LogP14.56
Rot. Bonds7

About 2-cyclohexyl-4-[[5-cyclohexyl-2-(9H-fluoren-1-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methyl]-5-(9H-fluoren-1-yl)phenol

2-cyclohexyl-4-[[5-cyclohexyl-2-(9H-fluoren-1-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methyl]-5-(9H-fluoren-1-yl)phenol (PubChem CID 160991306) has the molecular formula C57H52O3 and a molecular weight of 785.04 g/mol. Its IUPAC name is 2-cyclohexyl-4-[[5-cyclohexyl-2-(9H-fluoren-1-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methyl]-5-(9H-fluoren-1-yl)phenol.

Molecular Properties

Compound Name2-cyclohexyl-4-[[5-cyclohexyl-2-(9H-fluoren-1-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methyl]-5-(9H-fluoren-1-yl)phenol
PubChem CID160991306
Molecular FormulaC57H52O3
Molecular Weight785.04 g/mol
Exact Mass784.39
IUPAC Name2-cyclohexyl-4-[[5-cyclohexyl-2-(9H-fluoren-1-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methyl]-5-(9H-fluoren-1-yl)phenol
SMILESOc1ccc(C(c2cc(C3CCCCC3)c(O)cc2-c2cccc3c2Cc2ccccc2-3)c2cc(C3CCCCC3)c(O)cc2-c2cccc3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C57H52O3/c58-40-27-25-37(26-28-40)57(53-31-47(35-13-3-1-4-14-35)55(59)33-51(53)45-23-11-21-43-41-19-9-7-17-38(41)29-49(43)45)54-32-48(36-15-5-2-6-16-36)56(60)34-52(54)46-24-12-22-44-42-20-10-8-18-39(42)30-50(44)46/h7-12,17-28,31-36,57-60H,1-6,13-16,29-30H2
InChIKeyTUQYWZLWWRFDDW-UHFFFAOYSA-N
XLogP14.56
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.04
LogP ≤ 514.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyclohexyl-4-[[5-cyclohexyl-2-(9H-fluoren-1-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methyl]-5-(9H-fluoren-1-yl)phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-[[5-cyclohexyl-2-(9H-fluoren-1-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methyl]-5-(9H-fluoren-1-yl)phenol?
The IUPAC name of 2-cyclohexyl-4-[[5-cyclohexyl-2-(9H-fluoren-1-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methyl]-5-(9H-fluoren-1-yl)phenol (CID 160991306) is 2-cyclohexyl-4-[[5-cyclohexyl-2-(9H-fluoren-1-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methyl]-5-(9H-fluoren-1-yl)phenol.
What is the SMILES notation for 2-cyclohexyl-4-[[5-cyclohexyl-2-(9H-fluoren-1-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methyl]-5-(9H-fluoren-1-yl)phenol?
The canonical SMILES for 2-cyclohexyl-4-[[5-cyclohexyl-2-(9H-fluoren-1-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methyl]-5-(9H-fluoren-1-yl)phenol is Oc1ccc(C(c2cc(C3CCCCC3)c(O)cc2-c2cccc3c2Cc2ccccc2-3)c2cc(C3CCCCC3)c(O)cc2-c2cccc3c2Cc2ccccc2-3)cc1.
What is the InChIKey of 2-cyclohexyl-4-[[5-cyclohexyl-2-(9H-fluoren-1-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methyl]-5-(9H-fluoren-1-yl)phenol?
The InChIKey is TUQYWZLWWRFDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H52O3/c58-40-27-25-37(26-28-40)57(53-31-47(35-13-3-1-4-14-35)55(59)33-51(53)45-23-11-21-43-41-19-9-7-17-38(41)29-49(43)45)54-32-48(36-15-5-2-6-16-36)56(60)34-52(54)46-24-12-22-44-42-20-10-8-18-39(42)30-50(44)46/h7-12,17-28,31-36,57-60H,1-6,13-16,29-30H2.
What are the key properties of 2-cyclohexyl-4-[[5-cyclohexyl-2-(9H-fluoren-1-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methyl]-5-(9H-fluoren-1-yl)phenol?
2-cyclohexyl-4-[[5-cyclohexyl-2-(9H-fluoren-1-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methyl]-5-(9H-fluoren-1-yl)phenol has a molecular weight of 785.04 g/mol, XLogP of 14.56, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-[[5-cyclohexyl-2-(9H-fluoren-1-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methyl]-5-(9H-fluoren-1-yl)phenol is sourced from PubChem (CID 160991306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).