3,4,5,18,19,20-hexakis(phenylmethoxy)-9,14-dioxatricyclo[14.4.0.02,7]icosa-1(20),2,4,6,16,18-hexaene-8,15-dione

C60H52O10 — CID 134834337

IUPAC3,4,5,18,19,20-hexakis(phenylmethoxy)-9,14-dioxatricyclo[14.4.0.02,7]icosa-1(20),2,4,6,16,18-hexaene-8,15-dione
SMILESO=C1OCCCCOC(=O)c2cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2-c2c1cc(OCc1ccccc1)c(OCc1ccccc1)c2OCc1ccccc1
InChIInChI=1S/C60H52O10/c61-59-49-35-51(65-37-43-21-7-1-8-22-43)55(67-39-45-25-11-3-12-26-45)57(69-41-47-29-15-5-16-30-47)53(49)54-50(60(62)64-34-20-19-33-63-59)36-52(66-38-44-23-9-2-10-24-44)56(68-40-46-27-13-4-14-28-46)58(54)70-42-48-31-17-6-18-32-48/h1-18,21-32,35-36H,19-20,33-34,37-42H2
InChIKeyJCOLUGKTCPABLW-UHFFFAOYSA-N
MW933.07 g/mol
LogP12.94
Rot. Bonds18

About 3,4,5,18,19,20-hexakis(phenylmethoxy)-9,14-dioxatricyclo[14.4.0.02,7]icosa-1(20),2,4,6,16,18-hexaene-8,15-dione

3,4,5,18,19,20-hexakis(phenylmethoxy)-9,14-dioxatricyclo[14.4.0.02,7]icosa-1(20),2,4,6,16,18-hexaene-8,15-dione (PubChem CID 134834337) has the molecular formula C60H52O10 and a molecular weight of 933.07 g/mol. Its IUPAC name is 3,4,5,18,19,20-hexakis(phenylmethoxy)-9,14-dioxatricyclo[14.4.0.02,7]icosa-1(20),2,4,6,16,18-hexaene-8,15-dione.

Molecular Properties

Compound Name3,4,5,18,19,20-hexakis(phenylmethoxy)-9,14-dioxatricyclo[14.4.0.02,7]icosa-1(20),2,4,6,16,18-hexaene-8,15-dione
PubChem CID134834337
Molecular FormulaC60H52O10
Molecular Weight933.07 g/mol
Exact Mass932.36
IUPAC Name3,4,5,18,19,20-hexakis(phenylmethoxy)-9,14-dioxatricyclo[14.4.0.02,7]icosa-1(20),2,4,6,16,18-hexaene-8,15-dione
SMILESO=C1OCCCCOC(=O)c2cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2-c2c1cc(OCc1ccccc1)c(OCc1ccccc1)c2OCc1ccccc1
InChIInChI=1S/C60H52O10/c61-59-49-35-51(65-37-43-21-7-1-8-22-43)55(67-39-45-25-11-3-12-26-45)57(69-41-47-29-15-5-16-30-47)53(49)54-50(60(62)64-34-20-19-33-63-59)36-52(66-38-44-23-9-2-10-24-44)56(68-40-46-27-13-4-14-28-46)58(54)70-42-48-31-17-6-18-32-48/h1-18,21-32,35-36H,19-20,33-34,37-42H2
InChIKeyJCOLUGKTCPABLW-UHFFFAOYSA-N
XLogP12.94
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500933.07
LogP ≤ 512.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3,4,5,18,19,20-hexakis(phenylmethoxy)-9,14-dioxatricyclo[14.4.0.02,7]icosa-1(20),2,4,6,16,18-hexaene-8,15-dione 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 3,4,5,18,19,20-hexakis(phenylmethoxy)-9,14-dioxatricyclo[14.4.0.02,7]icosa-1(20),2,4,6,16,18-hexaene-8,15-dione?
The IUPAC name of 3,4,5,18,19,20-hexakis(phenylmethoxy)-9,14-dioxatricyclo[14.4.0.02,7]icosa-1(20),2,4,6,16,18-hexaene-8,15-dione (CID 134834337) is 3,4,5,18,19,20-hexakis(phenylmethoxy)-9,14-dioxatricyclo[14.4.0.02,7]icosa-1(20),2,4,6,16,18-hexaene-8,15-dione.
What is the SMILES notation for 3,4,5,18,19,20-hexakis(phenylmethoxy)-9,14-dioxatricyclo[14.4.0.02,7]icosa-1(20),2,4,6,16,18-hexaene-8,15-dione?
The canonical SMILES for 3,4,5,18,19,20-hexakis(phenylmethoxy)-9,14-dioxatricyclo[14.4.0.02,7]icosa-1(20),2,4,6,16,18-hexaene-8,15-dione is O=C1OCCCCOC(=O)c2cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2-c2c1cc(OCc1ccccc1)c(OCc1ccccc1)c2OCc1ccccc1.
What is the InChIKey of 3,4,5,18,19,20-hexakis(phenylmethoxy)-9,14-dioxatricyclo[14.4.0.02,7]icosa-1(20),2,4,6,16,18-hexaene-8,15-dione?
The InChIKey is JCOLUGKTCPABLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H52O10/c61-59-49-35-51(65-37-43-21-7-1-8-22-43)55(67-39-45-25-11-3-12-26-45)57(69-41-47-29-15-5-16-30-47)53(49)54-50(60(62)64-34-20-19-33-63-59)36-52(66-38-44-23-9-2-10-24-44)56(68-40-46-27-13-4-14-28-46)58(54)70-42-48-31-17-6-18-32-48/h1-18,21-32,35-36H,19-20,33-34,37-42H2.
What are the key properties of 3,4,5,18,19,20-hexakis(phenylmethoxy)-9,14-dioxatricyclo[14.4.0.02,7]icosa-1(20),2,4,6,16,18-hexaene-8,15-dione?
3,4,5,18,19,20-hexakis(phenylmethoxy)-9,14-dioxatricyclo[14.4.0.02,7]icosa-1(20),2,4,6,16,18-hexaene-8,15-dione has a molecular weight of 933.07 g/mol, XLogP of 12.94, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,18,19,20-hexakis(phenylmethoxy)-9,14-dioxatricyclo[14.4.0.02,7]icosa-1(20),2,4,6,16,18-hexaene-8,15-dione is sourced from PubChem (CID 134834337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).