2-[3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidine;14-[2-(4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-2-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;4,9,9-triphenyl-2-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine

C165H110N10OSi3 — CID 160853842

About 2-[3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidine;14-[2-(4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-2-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;4,9,9-triphenyl-2-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine

2-[3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidine;14-[2-(4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-2-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;4,9,9-triphenyl-2-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine (PubChem CID 160853842) has the molecular formula C165H110N10OSi3 and a molecular weight of 2333.02 g/mol. Its IUPAC name is 2-[3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidine;14-[2-(4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-2-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;4,9,9-triphenyl-2-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 2-[3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidine;14-[2-(4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-2-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;4,9,9-triphenyl-2-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine
• PubChem CID: 160853842
• Molecular Formula: C165H110N10OSi3
• Molecular Weight: 2333.02 g/mol
• Exact Mass: 2330.82
• IUPAC Name: 2-[3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidine;14-[2-(4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-2-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;4,9,9-triphenyl-2-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine
• SMILES: CC1(C)c2ccccc2-c2c1ccc1c2c2ccccc2n1-c1cccc(-c2nc(-c3ccccc3)c3c(n2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2-3)c1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)c3)nc3c2-c2ccccc2[Si]3(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)nc3c2-c2ccccc2[Si]3(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C58H38N4Si.C55H39N3Si.C52H33N3OSi/c1-5-20-39(21-6-1)56-55-47-32-15-18-35-52(47)63(43-26-9-3-10-27-43,44-28-11-4-12-29-44)58(55)60-57(59-56)40-22-19-25-42(38-40)62-49-34-17-14-31-46(49)54-51(62)37-36-50-53(54)45-30-13-16-33-48(45)61(50)41-23-7-2-8-24-41;1-55(2)44-30-15-12-27-41(44)49-45(55)33-34-47-50(49)42-28-13-16-31-46(42)58(47)38-22-18-21-37(35-38)53-56-52(36-19-6-3-7-20-36)51-43-29-14-17-32-48(43)59(54(51)57-53,39-23-8-4-9-24-39)40-25-10-5-11-26-40;1-4-18-34(19-5-1)50-49-40-27-13-17-31-46(40)57(35-20-6-2-7-21-35,36-22-8-3-9-23-36)52(49)54-51(53-50)38-25-11-15-29-42(38)55-41-28-14-10-24-37(41)47-43(55)32-33-45-48(47)39-26-12-16-30-44(39)56-45/h1-38H;3-35H,1-2H3;1-33H
• InChIKey: SJPMLEIVZLFDPU-UHFFFAOYSA-N
• XLogP: 32.10
• TPSA: 110.20 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2333.02
LogP ≤ 5	32.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidine;14-[2-(4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-2-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;4,9,9-triphenyl-2-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine?

The IUPAC name of 2-[3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidine;14-[2-(4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-2-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;4,9,9-triphenyl-2-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine (CID 160853842) is 2-[3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidine;14-[2-(4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-2-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;4,9,9-triphenyl-2-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine.

What is the SMILES notation for 2-[3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidine;14-[2-(4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-2-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;4,9,9-triphenyl-2-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine?

The canonical SMILES for 2-[3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidine;14-[2-(4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-2-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;4,9,9-triphenyl-2-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine is CC1(C)c2ccccc2-c2c1ccc1c2c2ccccc2n1-c1cccc(-c2nc(-c3ccccc3)c3c(n2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2-3)c1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)c3)nc3c2-c2ccccc2[Si]3(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)nc3c2-c2ccccc2[Si]3(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2-[3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidine;14-[2-(4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-2-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;4,9,9-triphenyl-2-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine?

The InChIKey is SJPMLEIVZLFDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4Si.C55H39N3Si.C52H33N3OSi/c1-5-20-39(21-6-1)56-55-47-32-15-18-35-52(47)63(43-26-9-3-10-27-43,44-28-11-4-12-29-44)58(55)60-57(59-56)40-22-19-25-42(38-40)62-49-34-17-14-31-46(49)54-51(62)37-36-50-53(54)45-30-13-16-33-48(45)61(50)41-23-7-2-8-24-41;1-55(2)44-30-15-12-27-41(44)49-45(55)33-34-47-50(49)42-28-13-16-31-46(42)58(47)38-22-18-21-37(35-38)53-56-52(36-19-6-3-7-20-36)51-43-29-14-17-32-48(43)59(54(51)57-53,39-23-8-4-9-24-39)40-25-10-5-11-26-40;1-4-18-34(19-5-1)50-49-40-27-13-17-31-46(40)57(35-20-6-2-7-21-35,36-22-8-3-9-23-36)52(49)54-51(53-50)38-25-11-15-29-42(38)55-41-28-14-10-24-37(41)47-43(55)32-33-45-48(47)39-26-12-16-30-44(39)56-45/h1-38H;3-35H,1-2H3;1-33H.

What are the key properties of 2-[3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidine;14-[2-(4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-2-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;4,9,9-triphenyl-2-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine?

2-[3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidine;14-[2-(4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-2-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;4,9,9-triphenyl-2-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine has a molecular weight of 2333.02 g/mol, XLogP of 32.10, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidine;14-[2-(4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-2-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;4,9,9-triphenyl-2-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine is sourced from PubChem (CID 160853842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).