11,11-diphenyl-3,19-dioxa-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene

C28H18O2Si — CID 132989883

IUPAC11,11-diphenyl-3,19-dioxa-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
SMILESc1ccc([Si]2(c3ccccc3)c3c(oc4ccccc34)-c3oc4ccccc4c32)cc1
InChIInChI=1S/C28H18O2Si/c1-3-11-19(12-4-1)31(20-13-5-2-6-14-20)27-21-15-7-9-17-23(21)29-25(27)26-28(31)22-16-8-10-18-24(22)30-26/h1-18H
InChIKeyIKERNROLCJPDBK-UHFFFAOYSA-N
MW414.54 g/mol
LogP4.54
Rot. Bonds2

About 11,11-diphenyl-3,19-dioxa-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene

11,11-diphenyl-3,19-dioxa-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene (PubChem CID 132989883) has the molecular formula C28H18O2Si and a molecular weight of 414.54 g/mol. Its IUPAC name is 11,11-diphenyl-3,19-dioxa-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene.

Molecular Properties

Compound Name11,11-diphenyl-3,19-dioxa-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
PubChem CID132989883
Molecular FormulaC28H18O2Si
Molecular Weight414.54 g/mol
Exact Mass414.11
IUPAC Name11,11-diphenyl-3,19-dioxa-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
SMILESc1ccc([Si]2(c3ccccc3)c3c(oc4ccccc34)-c3oc4ccccc4c32)cc1
InChIInChI=1S/C28H18O2Si/c1-3-11-19(12-4-1)31(20-13-5-2-6-14-20)27-21-15-7-9-17-23(21)29-25(27)26-28(31)22-16-8-10-18-24(22)30-26/h1-18H
InChIKeyIKERNROLCJPDBK-UHFFFAOYSA-N
XLogP4.54
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.54
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 11,11-diphenyl-3,19-dioxa-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11,11-diphenyl-3,19-dioxa-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene?
The IUPAC name of 11,11-diphenyl-3,19-dioxa-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene (CID 132989883) is 11,11-diphenyl-3,19-dioxa-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene.
What is the SMILES notation for 11,11-diphenyl-3,19-dioxa-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene?
The canonical SMILES for 11,11-diphenyl-3,19-dioxa-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene is c1ccc([Si]2(c3ccccc3)c3c(oc4ccccc34)-c3oc4ccccc4c32)cc1.
What is the InChIKey of 11,11-diphenyl-3,19-dioxa-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene?
The InChIKey is IKERNROLCJPDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18O2Si/c1-3-11-19(12-4-1)31(20-13-5-2-6-14-20)27-21-15-7-9-17-23(21)29-25(27)26-28(31)22-16-8-10-18-24(22)30-26/h1-18H.
What are the key properties of 11,11-diphenyl-3,19-dioxa-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene?
11,11-diphenyl-3,19-dioxa-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene has a molecular weight of 414.54 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-diphenyl-3,19-dioxa-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene is sourced from PubChem (CID 132989883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).