12,12-dihydroxy-10,14-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;hydrate

C32H24O3Si — CID 139037456

IUPAC12,12-dihydroxy-10,14-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;hydrate
SMILESO.O[Si]1(O)c2c(-c3ccccc3)cc3ccccc3c2-c2c1c(-c1ccccc1)cc1ccccc21
InChIInChI=1S/C32H22O2Si.H2O/c33-35(34)31-27(21-11-3-1-4-12-21)19-23-15-7-9-17-25(23)29(31)30-26-18-10-8-16-24(26)20-28(32(30)35)22-13-5-2-6-14-22;/h1-20,33-34H;1H2
InChIKeyYGHHFVBDWODICP-UHFFFAOYSA-N
MW484.63 g/mol
LogP5.02
Rot. Bonds2

About 12,12-dihydroxy-10,14-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;hydrate

12,12-dihydroxy-10,14-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;hydrate (PubChem CID 139037456) has the molecular formula C32H24O3Si and a molecular weight of 484.63 g/mol. Its IUPAC name is 12,12-dihydroxy-10,14-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;hydrate.

Molecular Properties

Compound Name12,12-dihydroxy-10,14-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;hydrate
PubChem CID139037456
Molecular FormulaC32H24O3Si
Molecular Weight484.63 g/mol
Exact Mass484.15
IUPAC Name12,12-dihydroxy-10,14-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;hydrate
SMILESO.O[Si]1(O)c2c(-c3ccccc3)cc3ccccc3c2-c2c1c(-c1ccccc1)cc1ccccc21
InChIInChI=1S/C32H22O2Si.H2O/c33-35(34)31-27(21-11-3-1-4-12-21)19-23-15-7-9-17-25(23)29(31)30-26-18-10-8-16-24(26)20-28(32(30)35)22-13-5-2-6-14-22;/h1-20,33-34H;1H2
InChIKeyYGHHFVBDWODICP-UHFFFAOYSA-N
XLogP5.02
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.63
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 12,12-dihydroxy-10,14-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;hydrate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 12,12-dihydroxy-10,14-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;hydrate?
The IUPAC name of 12,12-dihydroxy-10,14-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;hydrate (CID 139037456) is 12,12-dihydroxy-10,14-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;hydrate.
What is the SMILES notation for 12,12-dihydroxy-10,14-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;hydrate?
The canonical SMILES for 12,12-dihydroxy-10,14-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;hydrate is O.O[Si]1(O)c2c(-c3ccccc3)cc3ccccc3c2-c2c1c(-c1ccccc1)cc1ccccc21.
What is the InChIKey of 12,12-dihydroxy-10,14-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;hydrate?
The InChIKey is YGHHFVBDWODICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22O2Si.H2O/c33-35(34)31-27(21-11-3-1-4-12-21)19-23-15-7-9-17-25(23)29(31)30-26-18-10-8-16-24(26)20-28(32(30)35)22-13-5-2-6-14-22;/h1-20,33-34H;1H2.
What are the key properties of 12,12-dihydroxy-10,14-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;hydrate?
12,12-dihydroxy-10,14-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;hydrate has a molecular weight of 484.63 g/mol, XLogP of 5.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dihydroxy-10,14-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;hydrate is sourced from PubChem (CID 139037456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).