2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone

C34H32O10 — CID 75237022

IUPAC2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone
SMILESCOC1=CC(c2ccccc2)C2(C(=O)C(OC)=C(OC)C2=O)C(OC)=CC(c2ccccc2)C12C(=O)C(OC)=C(OC)C2=O
InChIInChI=1S/C34H32O10/c1-39-23-17-21(19-13-9-7-10-14-19)34(31(37)27(43-5)28(44-6)32(34)38)24(40-2)18-22(20-15-11-8-12-16-20)33(23)29(35)25(41-3)26(42-4)30(33)36/h7-18,21-22H,1-6H3
InChIKeyOASRMBZSJNAYKB-UHFFFAOYSA-N
MW600.62 g/mol
LogP3.91
Rot. Bonds8

About 2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone

2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone (PubChem CID 75237022) has the molecular formula C34H32O10 and a molecular weight of 600.62 g/mol. Its IUPAC name is 2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone.

Molecular Properties

Compound Name2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone
PubChem CID75237022
Molecular FormulaC34H32O10
Molecular Weight600.62 g/mol
Exact Mass600.20
IUPAC Name2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone
SMILESCOC1=CC(c2ccccc2)C2(C(=O)C(OC)=C(OC)C2=O)C(OC)=CC(c2ccccc2)C12C(=O)C(OC)=C(OC)C2=O
InChIInChI=1S/C34H32O10/c1-39-23-17-21(19-13-9-7-10-14-19)34(31(37)27(43-5)28(44-6)32(34)38)24(40-2)18-22(20-15-11-8-12-16-20)33(23)29(35)25(41-3)26(42-4)30(33)36/h7-18,21-22H,1-6H3
InChIKeyOASRMBZSJNAYKB-UHFFFAOYSA-N
XLogP3.91
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.62
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone?
The IUPAC name of 2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone (CID 75237022) is 2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone.
What is the SMILES notation for 2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone?
The canonical SMILES for 2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone is COC1=CC(c2ccccc2)C2(C(=O)C(OC)=C(OC)C2=O)C(OC)=CC(c2ccccc2)C12C(=O)C(OC)=C(OC)C2=O.
What is the InChIKey of 2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone?
The InChIKey is OASRMBZSJNAYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32O10/c1-39-23-17-21(19-13-9-7-10-14-19)34(31(37)27(43-5)28(44-6)32(34)38)24(40-2)18-22(20-15-11-8-12-16-20)33(23)29(35)25(41-3)26(42-4)30(33)36/h7-18,21-22H,1-6H3.
What are the key properties of 2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone?
2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone has a molecular weight of 600.62 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone is sourced from PubChem (CID 75237022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).