14,14-dimethyl-N,N-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-amine;3-(14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-yl)-N,N-diphenylaniline;4-(14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-yl)-N,N-diphenylaniline;6-methyl-14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene

C159H117B4N3O4Si4 — CID 163978553

About 14,14-dimethyl-N,N-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-amine;3-(14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-yl)-N,N-diphenylaniline;4-(14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-yl)-N,N-diphenylaniline;6-methyl-14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene

14,14-dimethyl-N,N-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-amine;3-(14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-yl)-N,N-diphenylaniline;4-(14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-yl)-N,N-diphenylaniline;6-methyl-14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene (PubChem CID 163978553) has the molecular formula C159H117B4N3O4Si4 and a molecular weight of 2289.29 g/mol. Its IUPAC name is 14,14-dimethyl-N,N-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-amine;3-(14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-yl)-N,N-diphenylaniline;4-(14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-yl)-N,N-diphenylaniline;6-methyl-14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene.

Molecular Properties

• Compound Name: 14,14-dimethyl-N,N-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-amine;3-(14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-yl)-N,N-diphenylaniline;4-(14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-yl)-N,N-diphenylaniline;6-methyl-14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene
• PubChem CID: 163978553
• Molecular Formula: C159H117B4N3O4Si4
• Molecular Weight: 2289.29 g/mol
• Exact Mass: 2287.85
• IUPAC Name: 14,14-dimethyl-N,N-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-amine;3-(14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-yl)-N,N-diphenylaniline;4-(14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-yl)-N,N-diphenylaniline;6-methyl-14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene
• SMILES: C[Si]1(C)c2ccccc2B2c3ccccc3Oc3cc(N(c4ccccc4)c4ccccc4)cc1c32.Cc1cccc2c1Oc1cccc3c1B2c1ccccc1[Si]3(c1ccccc1)c1ccccc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)Oc3cccc5c3B4c3ccccc3[Si]5(c3ccccc3)c3ccccc3)cc2)cc1.c1ccc(N(c2ccccc2)c2cccc(-c3ccc4c(c3)B3c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5cccc(c53)O4)c2)cc1
• InChI: InChI=1S/2C48H34BNOSi.C32H26BNOSi.C31H23BOSi/c1-5-18-37(19-6-1)50(38-20-7-2-8-21-38)39-22-15-17-35(33-39)36-31-32-44-43(34-36)49-42-27-13-14-29-46(42)52(40-23-9-3-10-24-40,41-25-11-4-12-26-41)47-30-16-28-45(51-44)48(47)49;1-5-16-37(17-6-1)50(38-18-7-2-8-19-38)39-31-28-35(29-32-39)36-30-33-42-45(34-36)51-44-25-15-27-47-48(44)49(42)43-24-13-14-26-46(43)52(47,40-20-9-3-10-21-40)41-22-11-4-12-23-41;1-36(2)30-20-12-10-18-27(30)33-26-17-9-11-19-28(26)35-29-21-25(22-31(36)32(29)33)34(23-13-5-3-6-14-23)24-15-7-4-8-16-24;1-22-12-10-18-26-31(22)33-27-19-11-21-29-30(27)32(26)25-17-8-9-20-28(25)34(29,23-13-4-2-5-14-23)24-15-6-3-7-16-24/h2*1-34H;3-22H,1-2H3;2-21H,1H3
• InChIKey: SWIHNPHUSDEDRZ-UHFFFAOYSA-N
• XLogP: 21.49
• TPSA: 46.64 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2289.29
LogP ≤ 5	21.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14,14-dimethyl-N,N-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-amine;3-(14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-yl)-N,N-diphenylaniline;4-(14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-yl)-N,N-diphenylaniline;6-methyl-14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene?

The IUPAC name of 14,14-dimethyl-N,N-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-amine;3-(14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-yl)-N,N-diphenylaniline;4-(14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-yl)-N,N-diphenylaniline;6-methyl-14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene (CID 163978553) is 14,14-dimethyl-N,N-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-amine;3-(14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-yl)-N,N-diphenylaniline;4-(14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-yl)-N,N-diphenylaniline;6-methyl-14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene.

What is the SMILES notation for 14,14-dimethyl-N,N-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-amine;3-(14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-yl)-N,N-diphenylaniline;4-(14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-yl)-N,N-diphenylaniline;6-methyl-14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene?

The canonical SMILES for 14,14-dimethyl-N,N-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-amine;3-(14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-yl)-N,N-diphenylaniline;4-(14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-yl)-N,N-diphenylaniline;6-methyl-14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene is C[Si]1(C)c2ccccc2B2c3ccccc3Oc3cc(N(c4ccccc4)c4ccccc4)cc1c32.Cc1cccc2c1Oc1cccc3c1B2c1ccccc1[Si]3(c1ccccc1)c1ccccc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)Oc3cccc5c3B4c3ccccc3[Si]5(c3ccccc3)c3ccccc3)cc2)cc1.c1ccc(N(c2ccccc2)c2cccc(-c3ccc4c(c3)B3c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5cccc(c53)O4)c2)cc1.

What is the InChIKey of 14,14-dimethyl-N,N-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-amine;3-(14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-yl)-N,N-diphenylaniline;4-(14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-yl)-N,N-diphenylaniline;6-methyl-14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene?

The InChIKey is SWIHNPHUSDEDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H34BNOSi.C32H26BNOSi.C31H23BOSi/c1-5-18-37(19-6-1)50(38-20-7-2-8-21-38)39-22-15-17-35(33-39)36-31-32-44-43(34-36)49-42-27-13-14-29-46(42)52(40-23-9-3-10-24-40,41-25-11-4-12-26-41)47-30-16-28-45(51-44)48(47)49;1-5-16-37(17-6-1)50(38-18-7-2-8-19-38)39-31-28-35(29-32-39)36-30-33-42-45(34-36)51-44-25-15-27-47-48(44)49(42)43-24-13-14-26-46(43)52(47,40-20-9-3-10-21-40)41-22-11-4-12-23-41;1-36(2)30-20-12-10-18-27(30)33-26-17-9-11-19-28(26)35-29-21-25(22-31(36)32(29)33)34(23-13-5-3-6-14-23)24-15-7-4-8-16-24;1-22-12-10-18-26-31(22)33-27-19-11-21-29-30(27)32(26)25-17-8-9-20-28(25)34(29,23-13-4-2-5-14-23)24-15-6-3-7-16-24/h2*1-34H;3-22H,1-2H3;2-21H,1H3.

What are the key properties of 14,14-dimethyl-N,N-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-amine;3-(14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-yl)-N,N-diphenylaniline;4-(14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-yl)-N,N-diphenylaniline;6-methyl-14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene?

14,14-dimethyl-N,N-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-amine;3-(14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-yl)-N,N-diphenylaniline;4-(14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-yl)-N,N-diphenylaniline;6-methyl-14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene has a molecular weight of 2289.29 g/mol, XLogP of 21.49, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 14,14-dimethyl-N,N-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-amine;3-(14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-yl)-N,N-diphenylaniline;4-(14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-yl)-N,N-diphenylaniline;6-methyl-14,14-diphenyl-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene is sourced from PubChem (CID 163978553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).