triphenyl-[3-[5-(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)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-10-yl]phenyl]silane

C66H43BN2O2Si — CID 171581792

About triphenyl-[3-[5-(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)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-10-yl]phenyl]silane

triphenyl-[3-[5-(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)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-10-yl]phenyl]silane (PubChem CID 171581792) has the molecular formula C66H43BN2O2Si and a molecular weight of 934.98 g/mol. Its IUPAC name is triphenyl-[3-[5-(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)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-10-yl]phenyl]silane.

Molecular Properties

• Compound Name: triphenyl-[3-[5-(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)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-10-yl]phenyl]silane
• PubChem CID: 171581792
• Molecular Formula: C66H43BN2O2Si
• Molecular Weight: 934.98 g/mol
• Exact Mass: 934.32
• IUPAC Name: triphenyl-[3-[5-(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)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-10-yl]phenyl]silane
• SMILES: c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccc6c(c5)Oc5c(-c7cccc([Si](c8ccccc8)(c8ccccc8)c8ccccc8)c7)ccc7c5B6c5ccccc5O7)c4ccc32)cc1
• InChI: InChI=1S/C66H43BN2O2Si/c1-5-21-45(22-6-1)68-56-33-16-13-30-52(56)63-58(68)39-40-59-64(63)53-31-14-17-34-57(53)69(59)46-36-38-55-62(43-46)71-66-51(37-41-61-65(66)67(55)54-32-15-18-35-60(54)70-61)44-20-19-29-50(42-44)72(47-23-7-2-8-24-47,48-25-9-3-10-26-48)49-27-11-4-12-28-49/h1-43H
• InChIKey: SBEINSTWNNVZGV-UHFFFAOYSA-N
• XLogP: 11.65
• TPSA: 28.32 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	934.98
LogP ≤ 5	11.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of triphenyl-[3-[5-(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)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-10-yl]phenyl]silane?

The IUPAC name of triphenyl-[3-[5-(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)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-10-yl]phenyl]silane (CID 171581792) is triphenyl-[3-[5-(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)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-10-yl]phenyl]silane.

What is the SMILES notation for triphenyl-[3-[5-(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)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-10-yl]phenyl]silane?

The canonical SMILES for triphenyl-[3-[5-(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)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-10-yl]phenyl]silane is c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccc6c(c5)Oc5c(-c7cccc([Si](c8ccccc8)(c8ccccc8)c8ccccc8)c7)ccc7c5B6c5ccccc5O7)c4ccc32)cc1.

What is the InChIKey of triphenyl-[3-[5-(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)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-10-yl]phenyl]silane?

The InChIKey is SBEINSTWNNVZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43BN2O2Si/c1-5-21-45(22-6-1)68-56-33-16-13-30-52(56)63-58(68)39-40-59-64(63)53-31-14-17-34-57(53)69(59)46-36-38-55-62(43-46)71-66-51(37-41-61-65(66)67(55)54-32-15-18-35-60(54)70-61)44-20-19-29-50(42-44)72(47-23-7-2-8-24-47,48-25-9-3-10-26-48)49-27-11-4-12-28-49/h1-43H.

What are the key properties of triphenyl-[3-[5-(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)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-10-yl]phenyl]silane?

triphenyl-[3-[5-(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)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-10-yl]phenyl]silane has a molecular weight of 934.98 g/mol, XLogP of 11.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[3-[5-(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)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-10-yl]phenyl]silane is sourced from PubChem (CID 171581792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).