2-chloro-5-[methyl(diphenyl)silyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-methyl-diphenylsilane

C86H68BClN4Si2 — CID 159150140

About 2-chloro-5-[methyl(diphenyl)silyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-methyl-diphenylsilane

2-chloro-5-[methyl(diphenyl)silyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-methyl-diphenylsilane (PubChem CID 159150140) has the molecular formula C86H68BClN4Si2 and a molecular weight of 1259.96 g/mol. Its IUPAC name is 2-chloro-5-[methyl(diphenyl)silyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-methyl-diphenylsilane.

Molecular Properties

• Compound Name: 2-chloro-5-[methyl(diphenyl)silyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-methyl-diphenylsilane
• PubChem CID: 159150140
• Molecular Formula: C86H68BClN4Si2
• Molecular Weight: 1259.96 g/mol
• Exact Mass: 1258.48
• IUPAC Name: 2-chloro-5-[methyl(diphenyl)silyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-methyl-diphenylsilane
• SMILES: C[Si](c1ccccc1)(c1ccccc1)c1cc(N(c2ccccc2)c2ccccc2)c(Cl)c(N(c2ccccc2)c2ccccc2)c1.C[Si](c1ccccc1)(c1ccccc1)c1cc2c3c(c1)N(c1ccccc1)c1ccccc1B3c1ccccc1N2c1ccccc1
• InChI: InChI=1S/C43H33BN2Si.C43H35ClN2Si/c1-47(34-22-10-4-11-23-34,35-24-12-5-13-25-35)36-30-41-43-42(31-36)46(33-20-8-3-9-21-33)40-29-17-15-27-38(40)44(43)37-26-14-16-28-39(37)45(41)32-18-6-2-7-19-32;1-47(38-28-16-6-17-29-38,39-30-18-7-19-31-39)40-32-41(45(34-20-8-2-9-21-34)35-22-10-3-11-23-35)43(44)42(33-40)46(36-24-12-4-13-25-36)37-26-14-5-15-27-37/h2-31H,1H3;2-33H,1H3
• InChIKey: KJECVEMJHQZTSJ-UHFFFAOYSA-N
• XLogP: 17.25
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1259.96
LogP ≤ 5	17.25
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 2-chloro-5-[methyl(diphenyl)silyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-methyl-diphenylsilane?

The IUPAC name of 2-chloro-5-[methyl(diphenyl)silyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-methyl-diphenylsilane (CID 159150140) is 2-chloro-5-[methyl(diphenyl)silyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-methyl-diphenylsilane.

What is the SMILES notation for 2-chloro-5-[methyl(diphenyl)silyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-methyl-diphenylsilane?

The canonical SMILES for 2-chloro-5-[methyl(diphenyl)silyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-methyl-diphenylsilane is C[Si](c1ccccc1)(c1ccccc1)c1cc(N(c2ccccc2)c2ccccc2)c(Cl)c(N(c2ccccc2)c2ccccc2)c1.C[Si](c1ccccc1)(c1ccccc1)c1cc2c3c(c1)N(c1ccccc1)c1ccccc1B3c1ccccc1N2c1ccccc1.

What is the InChIKey of 2-chloro-5-[methyl(diphenyl)silyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-methyl-diphenylsilane?

The InChIKey is KJECVEMJHQZTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33BN2Si.C43H35ClN2Si/c1-47(34-22-10-4-11-23-34,35-24-12-5-13-25-35)36-30-41-43-42(31-36)46(33-20-8-3-9-21-33)40-29-17-15-27-38(40)44(43)37-26-14-16-28-39(37)45(41)32-18-6-2-7-19-32;1-47(38-28-16-6-17-29-38,39-30-18-7-19-31-39)40-32-41(45(34-20-8-2-9-21-34)35-22-10-3-11-23-35)43(44)42(33-40)46(36-24-12-4-13-25-36)37-26-14-5-15-27-37/h2-31H,1H3;2-33H,1H3.

What are the key properties of 2-chloro-5-[methyl(diphenyl)silyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-methyl-diphenylsilane?

2-chloro-5-[methyl(diphenyl)silyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-methyl-diphenylsilane has a molecular weight of 1259.96 g/mol, XLogP of 17.25, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[methyl(diphenyl)silyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-methyl-diphenylsilane is sourced from PubChem (CID 159150140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).