14,14-diphenyl-21-oxa-9-thia-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,9,14,14-tetraphenyl-21-oxa-9,14-disilapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C72H50O2SSi3 — CID 159093605

About 14,14-diphenyl-21-oxa-9-thia-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,9,14,14-tetraphenyl-21-oxa-9,14-disilapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

14,14-diphenyl-21-oxa-9-thia-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,9,14,14-tetraphenyl-21-oxa-9,14-disilapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 159093605) has the molecular formula C72H50O2SSi3 and a molecular weight of 1063.51 g/mol. Its IUPAC name is 14,14-diphenyl-21-oxa-9-thia-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,9,14,14-tetraphenyl-21-oxa-9,14-disilapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 14,14-diphenyl-21-oxa-9-thia-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,9,14,14-tetraphenyl-21-oxa-9,14-disilapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• PubChem CID: 159093605
• Molecular Formula: C72H50O2SSi3
• Molecular Weight: 1063.51 g/mol
• Exact Mass: 1062.28
• IUPAC Name: 14,14-diphenyl-21-oxa-9-thia-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,9,14,14-tetraphenyl-21-oxa-9,14-disilapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• SMILES: c1ccc([Si]2(c3ccccc3)c3ccccc3Oc3c2ccc2c3-c3ccccc3[Si]2(c2ccccc2)c2ccccc2)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3Oc3c2ccc2sc4ccccc4c32)cc1
• InChI: InChI=1S/C42H30OSi2.C30H20OSSi/c1-5-17-31(18-6-1)44(32-19-7-2-8-20-32)37-27-15-13-25-35(37)41-39(44)29-30-40-42(41)43-36-26-14-16-28-38(36)45(40,33-21-9-3-10-22-33)34-23-11-4-12-24-34;1-3-11-21(12-4-1)33(22-13-5-2-6-14-22)27-18-10-8-16-24(27)31-30-28(33)20-19-26-29(30)23-15-7-9-17-25(23)32-26/h1-30H;1-20H
• InChIKey: KCJMGWLQFFYCGD-UHFFFAOYSA-N
• XLogP: 10.07
• TPSA: 18.46 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1063.51
LogP ≤ 5	10.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14,14-diphenyl-21-oxa-9-thia-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,9,14,14-tetraphenyl-21-oxa-9,14-disilapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The IUPAC name of 14,14-diphenyl-21-oxa-9-thia-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,9,14,14-tetraphenyl-21-oxa-9,14-disilapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 159093605) is 14,14-diphenyl-21-oxa-9-thia-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,9,14,14-tetraphenyl-21-oxa-9,14-disilapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

What is the SMILES notation for 14,14-diphenyl-21-oxa-9-thia-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,9,14,14-tetraphenyl-21-oxa-9,14-disilapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The canonical SMILES for 14,14-diphenyl-21-oxa-9-thia-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,9,14,14-tetraphenyl-21-oxa-9,14-disilapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1ccc([Si]2(c3ccccc3)c3ccccc3Oc3c2ccc2c3-c3ccccc3[Si]2(c2ccccc2)c2ccccc2)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3Oc3c2ccc2sc4ccccc4c32)cc1.

What is the InChIKey of 14,14-diphenyl-21-oxa-9-thia-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,9,14,14-tetraphenyl-21-oxa-9,14-disilapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The InChIKey is KCJMGWLQFFYCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30OSi2.C30H20OSSi/c1-5-17-31(18-6-1)44(32-19-7-2-8-20-32)37-27-15-13-25-35(37)41-39(44)29-30-40-42(41)43-36-26-14-16-28-38(36)45(40,33-21-9-3-10-22-33)34-23-11-4-12-24-34;1-3-11-21(12-4-1)33(22-13-5-2-6-14-22)27-18-10-8-16-24(27)31-30-28(33)20-19-26-29(30)23-15-7-9-17-25(23)32-26/h1-30H;1-20H.

What are the key properties of 14,14-diphenyl-21-oxa-9-thia-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,9,14,14-tetraphenyl-21-oxa-9,14-disilapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

14,14-diphenyl-21-oxa-9-thia-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,9,14,14-tetraphenyl-21-oxa-9,14-disilapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 1063.51 g/mol, XLogP of 10.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 14,14-diphenyl-21-oxa-9-thia-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,9,14,14-tetraphenyl-21-oxa-9,14-disilapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 159093605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).