5,17-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-N,N-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine

C78H54BN3O2Si2 — CID 163512146

About 5,17-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-N,N-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine

5,17-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-N,N-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine (PubChem CID 163512146) has the molecular formula C78H54BN3O2Si2 and a molecular weight of 1132.29 g/mol. Its IUPAC name is 5,17-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-N,N-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine.

Molecular Properties

• Compound Name: 5,17-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-N,N-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine
• PubChem CID: 163512146
• Molecular Formula: C78H54BN3O2Si2
• Molecular Weight: 1132.29 g/mol
• Exact Mass: 1131.38
• IUPAC Name: 5,17-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-N,N-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine
• SMILES: c1ccc(N(c2ccccc2)c2cc3c4c(c2)Oc2cc(N5c6ccccc6[Si](c6ccccc6)(c6ccccc6)c6ccccc65)ccc2B4c2ccc(N4c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc54)cc2O3)cc1
• InChI: InChI=1S/C78H54BN3O2Si2/c1-7-27-55(28-8-1)80(56-29-9-2-10-30-56)59-53-72-78-73(54-59)84-71-52-58(82-68-41-21-25-45-76(68)86(62-35-15-5-16-36-62,63-37-17-6-18-38-63)77-46-26-22-42-69(77)82)48-50-65(71)79(78)64-49-47-57(51-70(64)83-72)81-66-39-19-23-43-74(66)85(60-31-11-3-12-32-60,61-33-13-4-14-34-61)75-44-24-20-40-67(75)81/h1-54H
• InChIKey: LYMMYHDCXRKIJH-UHFFFAOYSA-N
• XLogP: 12.21
• TPSA: 28.18 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1132.29
LogP ≤ 5	12.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,17-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-N,N-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

The IUPAC name of 5,17-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-N,N-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine (CID 163512146) is 5,17-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-N,N-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine.

What is the SMILES notation for 5,17-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-N,N-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

The canonical SMILES for 5,17-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-N,N-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine is c1ccc(N(c2ccccc2)c2cc3c4c(c2)Oc2cc(N5c6ccccc6[Si](c6ccccc6)(c6ccccc6)c6ccccc65)ccc2B4c2ccc(N4c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc54)cc2O3)cc1.

What is the InChIKey of 5,17-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-N,N-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

The InChIKey is LYMMYHDCXRKIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H54BN3O2Si2/c1-7-27-55(28-8-1)80(56-29-9-2-10-30-56)59-53-72-78-73(54-59)84-71-52-58(82-68-41-21-25-45-76(68)86(62-35-15-5-16-36-62,63-37-17-6-18-38-63)77-46-26-22-42-69(77)82)48-50-65(71)79(78)64-49-47-57(51-70(64)83-72)81-66-39-19-23-43-74(66)85(60-31-11-3-12-32-60,61-33-13-4-14-34-61)75-44-24-20-40-67(75)81/h1-54H.

What are the key properties of 5,17-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-N,N-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

5,17-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-N,N-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine has a molecular weight of 1132.29 g/mol, XLogP of 12.21, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5,17-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-N,N-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine is sourced from PubChem (CID 163512146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).