[4,18-dimethyl-8,14-bis(2-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,18-dimethyl-8,14-bis(3-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,18-dimethyl-8,14-bis(4-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,14-diphenyl-8-(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-yl]-trimethylsilane

C156H148B4N8Si4 — CID 159807309

About [4,18-dimethyl-8,14-bis(2-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,18-dimethyl-8,14-bis(3-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,18-dimethyl-8,14-bis(4-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,14-diphenyl-8-(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-yl]-trimethylsilane

[4,18-dimethyl-8,14-bis(2-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,18-dimethyl-8,14-bis(3-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,18-dimethyl-8,14-bis(4-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,14-diphenyl-8-(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-yl]-trimethylsilane (PubChem CID 159807309) has the molecular formula C156H148B4N8Si4 and a molecular weight of 2290.55 g/mol. Its IUPAC name is [4,18-dimethyl-8,14-bis(2-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,18-dimethyl-8,14-bis(3-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,18-dimethyl-8,14-bis(4-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,14-diphenyl-8-(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [4,18-dimethyl-8,14-bis(2-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,18-dimethyl-8,14-bis(3-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,18-dimethyl-8,14-bis(4-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,14-diphenyl-8-(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-yl]-trimethylsilane
• PubChem CID: 159807309
• Molecular Formula: C156H148B4N8Si4
• Molecular Weight: 2290.55 g/mol
• Exact Mass: 2289.13
• IUPAC Name: [4,18-dimethyl-8,14-bis(2-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,18-dimethyl-8,14-bis(3-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,18-dimethyl-8,14-bis(4-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,14-diphenyl-8-(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-yl]-trimethylsilane
• SMILES: C[Si](C)(C)c1cc2c3c(c1)N(c1ccc(-c4ccccc4)cc1)c1ccc(-c4ccccc4)cc1B3c1ccccc1N2c1ccccc1.Cc1ccc(N2c3ccc(C)cc3B3c4cc(C)ccc4N(c4ccc(C)cc4)c4cc([Si](C)(C)C)cc2c43)cc1.Cc1ccc2c(c1)B1c3cc(C)ccc3N(c3ccccc3C)c3cc([Si](C)(C)C)cc(c31)N2c1ccccc1C.Cc1cccc(N2c3ccc(C)cc3B3c4cc(C)ccc4N(c4cccc(C)c4)c4cc([Si](C)(C)C)cc2c43)c1
• InChI: InChI=1S/C45H37BN2Si.3C37H37BN2Si/c1-49(2,3)38-30-43-45-44(31-38)48(37-26-23-34(24-27-37)32-15-7-4-8-16-32)42-28-25-35(33-17-9-5-10-18-33)29-40(42)46(45)39-21-13-14-22-41(39)47(43)36-19-11-6-12-20-36;1-24-8-14-28(15-9-24)39-33-18-12-26(3)20-31(33)38-32-21-27(4)13-19-34(32)40(29-16-10-25(2)11-17-29)36-23-30(41(5,6)7)22-35(39)37(36)38;1-24-10-8-12-28(18-24)39-33-16-14-26(3)20-31(33)38-32-21-27(4)15-17-34(32)40(29-13-9-11-25(2)19-29)36-23-30(41(5,6)7)22-35(39)37(36)38;1-24-16-18-33-29(20-24)38-30-21-25(2)17-19-34(30)40(32-15-11-9-13-27(32)4)36-23-28(41(5,6)7)22-35(37(36)38)39(33)31-14-10-8-12-26(31)3/h4-31H,1-3H3;3*8-23H,1-7H3
• InChIKey: NKOIVUIYQIUVPZ-UHFFFAOYSA-N
• XLogP: 32.29
• TPSA: 25.92 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2290.55
LogP ≤ 5	32.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4,18-dimethyl-8,14-bis(2-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,18-dimethyl-8,14-bis(3-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,18-dimethyl-8,14-bis(4-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,14-diphenyl-8-(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-yl]-trimethylsilane?

The IUPAC name of [4,18-dimethyl-8,14-bis(2-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,18-dimethyl-8,14-bis(3-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,18-dimethyl-8,14-bis(4-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,14-diphenyl-8-(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-yl]-trimethylsilane (CID 159807309) is [4,18-dimethyl-8,14-bis(2-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,18-dimethyl-8,14-bis(3-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,18-dimethyl-8,14-bis(4-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,14-diphenyl-8-(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-yl]-trimethylsilane.

What is the SMILES notation for [4,18-dimethyl-8,14-bis(2-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,18-dimethyl-8,14-bis(3-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,18-dimethyl-8,14-bis(4-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,14-diphenyl-8-(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-yl]-trimethylsilane?

The canonical SMILES for [4,18-dimethyl-8,14-bis(2-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,18-dimethyl-8,14-bis(3-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,18-dimethyl-8,14-bis(4-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,14-diphenyl-8-(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-yl]-trimethylsilane is C[Si](C)(C)c1cc2c3c(c1)N(c1ccc(-c4ccccc4)cc1)c1ccc(-c4ccccc4)cc1B3c1ccccc1N2c1ccccc1.Cc1ccc(N2c3ccc(C)cc3B3c4cc(C)ccc4N(c4ccc(C)cc4)c4cc([Si](C)(C)C)cc2c43)cc1.Cc1ccc2c(c1)B1c3cc(C)ccc3N(c3ccccc3C)c3cc([Si](C)(C)C)cc(c31)N2c1ccccc1C.Cc1cccc(N2c3ccc(C)cc3B3c4cc(C)ccc4N(c4cccc(C)c4)c4cc([Si](C)(C)C)cc2c43)c1.

What is the InChIKey of [4,18-dimethyl-8,14-bis(2-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,18-dimethyl-8,14-bis(3-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,18-dimethyl-8,14-bis(4-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,14-diphenyl-8-(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-yl]-trimethylsilane?

The InChIKey is NKOIVUIYQIUVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H37BN2Si.3C37H37BN2Si/c1-49(2,3)38-30-43-45-44(31-38)48(37-26-23-34(24-27-37)32-15-7-4-8-16-32)42-28-25-35(33-17-9-5-10-18-33)29-40(42)46(45)39-21-13-14-22-41(39)47(43)36-19-11-6-12-20-36;1-24-8-14-28(15-9-24)39-33-18-12-26(3)20-31(33)38-32-21-27(4)13-19-34(32)40(29-16-10-25(2)11-17-29)36-23-30(41(5,6)7)22-35(39)37(36)38;1-24-10-8-12-28(18-24)39-33-16-14-26(3)20-31(33)38-32-21-27(4)15-17-34(32)40(29-13-9-11-25(2)19-29)36-23-30(41(5,6)7)22-35(39)37(36)38;1-24-16-18-33-29(20-24)38-30-21-25(2)17-19-34(30)40(32-15-11-9-13-27(32)4)36-23-28(41(5,6)7)22-35(37(36)38)39(33)31-14-10-8-12-26(31)3/h4-31H,1-3H3;3*8-23H,1-7H3.

What are the key properties of [4,18-dimethyl-8,14-bis(2-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,18-dimethyl-8,14-bis(3-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,18-dimethyl-8,14-bis(4-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,14-diphenyl-8-(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-yl]-trimethylsilane?

[4,18-dimethyl-8,14-bis(2-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,18-dimethyl-8,14-bis(3-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,18-dimethyl-8,14-bis(4-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,14-diphenyl-8-(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-yl]-trimethylsilane has a molecular weight of 2290.55 g/mol, XLogP of 32.29, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4,18-dimethyl-8,14-bis(2-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,18-dimethyl-8,14-bis(3-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,18-dimethyl-8,14-bis(4-methylphenyl)-8,14-diaza-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-yl]-trimethylsilane;[4,14-diphenyl-8-(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-yl]-trimethylsilane is sourced from PubChem (CID 159807309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).