[4-tert-butyl-8,14-bis(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-20-thia-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaen-11-yl]-triphenylsilane;4-tert-butyl-8,14-bis(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-11-trityl-20-thia-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaene

C155H148B2N6S2Si — CID 163959912

About [4-tert-butyl-8,14-bis(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-20-thia-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaen-11-yl]-triphenylsilane;4-tert-butyl-8,14-bis(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-11-trityl-20-thia-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaene

[4-tert-butyl-8,14-bis(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-20-thia-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaen-11-yl]-triphenylsilane;4-tert-butyl-8,14-bis(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-11-trityl-20-thia-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaene (PubChem CID 163959912) has the molecular formula C155H148B2N6S2Si and a molecular weight of 2208.77 g/mol. Its IUPAC name is [4-tert-butyl-8,14-bis(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-20-thia-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaen-11-yl]-triphenylsilane;4-tert-butyl-8,14-bis(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-11-trityl-20-thia-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaene.

Molecular Properties

• Compound Name: [4-tert-butyl-8,14-bis(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-20-thia-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaen-11-yl]-triphenylsilane;4-tert-butyl-8,14-bis(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-11-trityl-20-thia-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaene
• PubChem CID: 163959912
• Molecular Formula: C155H148B2N6S2Si
• Molecular Weight: 2208.77 g/mol
• Exact Mass: 2207.12
• IUPAC Name: [4-tert-butyl-8,14-bis(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-20-thia-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaen-11-yl]-triphenylsilane;4-tert-butyl-8,14-bis(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-11-trityl-20-thia-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaene
• SMILES: CC(C)(C)c1ccc(-c2ccc(-c3nc4cc5c(cc4s3)B3c4cc(C(C)(C)C)ccc4N(c4ccc(C(C)(C)C)cc4)c4cc(C(c6ccccc6)(c6ccccc6)c6ccccc6)cc(c43)N5c3ccc(C(C)(C)C)cc3)cc2)cc1.CC(C)(C)c1ccc(-c2ccc(-c3nc4cc5c(cc4s3)B3c4cc(C(C)(C)C)ccc4N(c4ccc(C(C)(C)C)cc4)c4cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc(c43)N5c3ccc(C(C)(C)C)cc3)cc2)cc1
• InChI: InChI=1S/C78H74BN3S.C77H74BN3SSi/c1-74(2,3)54-34-32-52(33-35-54)51-28-30-53(31-29-51)73-80-66-50-68-65(49-71(66)83-73)79-64-46-60(77(10,11)12)40-45-67(64)81(62-41-36-55(37-42-62)75(4,5)6)69-47-61(48-70(72(69)79)82(68)63-43-38-56(39-44-63)76(7,8)9)78(57-22-16-13-17-23-57,58-24-18-14-19-25-58)59-26-20-15-21-27-59;1-74(2,3)54-34-32-52(33-35-54)51-28-30-53(31-29-51)73-79-66-50-68-65(49-71(66)82-73)78-64-46-57(77(10,11)12)40-45-67(64)80(58-41-36-55(37-42-58)75(4,5)6)69-47-63(48-70(72(69)78)81(68)59-43-38-56(39-44-59)76(7,8)9)83(60-22-16-13-17-23-60,61-24-18-14-19-25-61)62-26-20-15-21-27-62/h2*13-50H,1-12H3
• InChIKey: SGOHRZVADVTOSB-UHFFFAOYSA-N
• XLogP: 35.57
• TPSA: 38.74 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2208.77
LogP ≤ 5	35.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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 [4-tert-butyl-8,14-bis(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-20-thia-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaen-11-yl]-triphenylsilane;4-tert-butyl-8,14-bis(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-11-trityl-20-thia-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaene?

The IUPAC name of [4-tert-butyl-8,14-bis(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-20-thia-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaen-11-yl]-triphenylsilane;4-tert-butyl-8,14-bis(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-11-trityl-20-thia-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaene (CID 163959912) is [4-tert-butyl-8,14-bis(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-20-thia-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaen-11-yl]-triphenylsilane;4-tert-butyl-8,14-bis(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-11-trityl-20-thia-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaene.

What is the SMILES notation for [4-tert-butyl-8,14-bis(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-20-thia-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaen-11-yl]-triphenylsilane;4-tert-butyl-8,14-bis(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-11-trityl-20-thia-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaene?

The canonical SMILES for [4-tert-butyl-8,14-bis(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-20-thia-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaen-11-yl]-triphenylsilane;4-tert-butyl-8,14-bis(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-11-trityl-20-thia-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaene is CC(C)(C)c1ccc(-c2ccc(-c3nc4cc5c(cc4s3)B3c4cc(C(C)(C)C)ccc4N(c4ccc(C(C)(C)C)cc4)c4cc(C(c6ccccc6)(c6ccccc6)c6ccccc6)cc(c43)N5c3ccc(C(C)(C)C)cc3)cc2)cc1.CC(C)(C)c1ccc(-c2ccc(-c3nc4cc5c(cc4s3)B3c4cc(C(C)(C)C)ccc4N(c4ccc(C(C)(C)C)cc4)c4cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc(c43)N5c3ccc(C(C)(C)C)cc3)cc2)cc1.

What is the InChIKey of [4-tert-butyl-8,14-bis(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-20-thia-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaen-11-yl]-triphenylsilane;4-tert-butyl-8,14-bis(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-11-trityl-20-thia-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaene?

The InChIKey is SGOHRZVADVTOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H74BN3S.C77H74BN3SSi/c1-74(2,3)54-34-32-52(33-35-54)51-28-30-53(31-29-51)73-80-66-50-68-65(49-71(66)83-73)79-64-46-60(77(10,11)12)40-45-67(64)81(62-41-36-55(37-42-62)75(4,5)6)69-47-61(48-70(72(69)79)82(68)63-43-38-56(39-44-63)76(7,8)9)78(57-22-16-13-17-23-57,58-24-18-14-19-25-58)59-26-20-15-21-27-59;1-74(2,3)54-34-32-52(33-35-54)51-28-30-53(31-29-51)73-79-66-50-68-65(49-71(66)82-73)78-64-46-57(77(10,11)12)40-45-67(64)80(58-41-36-55(37-42-58)75(4,5)6)69-47-63(48-70(72(69)78)81(68)59-43-38-56(39-44-59)76(7,8)9)83(60-22-16-13-17-23-60,61-24-18-14-19-25-61)62-26-20-15-21-27-62/h2*13-50H,1-12H3.

What are the key properties of [4-tert-butyl-8,14-bis(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-20-thia-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaen-11-yl]-triphenylsilane;4-tert-butyl-8,14-bis(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-11-trityl-20-thia-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaene?

[4-tert-butyl-8,14-bis(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-20-thia-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaen-11-yl]-triphenylsilane;4-tert-butyl-8,14-bis(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-11-trityl-20-thia-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaene has a molecular weight of 2208.77 g/mol, XLogP of 35.57, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-tert-butyl-8,14-bis(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-20-thia-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaen-11-yl]-triphenylsilane;4-tert-butyl-8,14-bis(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-11-trityl-20-thia-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaene is sourced from PubChem (CID 163959912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).