tert-butyl-[9-[tert-butyl(dimethyl)silyl]-23,24-bis(4-tert-butylphenyl)-28,28,31,31-tetramethylspiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.027,32.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27(32)-tridecaene-17,9'-fluorene]-14-yl]-dimethylsilane

C79H87BN2Si2 — CID 177289475

About tert-butyl-[9-[tert-butyl(dimethyl)silyl]-23,24-bis(4-tert-butylphenyl)-28,28,31,31-tetramethylspiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.027,32.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27(32)-tridecaene-17,9'-fluorene]-14-yl]-dimethylsilane

tert-butyl-[9-[tert-butyl(dimethyl)silyl]-23,24-bis(4-tert-butylphenyl)-28,28,31,31-tetramethylspiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.027,32.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27(32)-tridecaene-17,9'-fluorene]-14-yl]-dimethylsilane (PubChem CID 177289475) has the molecular formula C79H87BN2Si2 and a molecular weight of 1131.56 g/mol. Its IUPAC name is tert-butyl-[9-[tert-butyl(dimethyl)silyl]-23,24-bis(4-tert-butylphenyl)-28,28,31,31-tetramethylspiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.027,32.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27(32)-tridecaene-17,9'-fluorene]-14-yl]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[9-[tert-butyl(dimethyl)silyl]-23,24-bis(4-tert-butylphenyl)-28,28,31,31-tetramethylspiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.027,32.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27(32)-tridecaene-17,9'-fluorene]-14-yl]-dimethylsilane
• PubChem CID: 177289475
• Molecular Formula: C79H87BN2Si2
• Molecular Weight: 1131.56 g/mol
• Exact Mass: 1130.65
• IUPAC Name: tert-butyl-[9-[tert-butyl(dimethyl)silyl]-23,24-bis(4-tert-butylphenyl)-28,28,31,31-tetramethylspiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.027,32.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27(32)-tridecaene-17,9'-fluorene]-14-yl]-dimethylsilane
• SMILES: CC(C)(C)c1ccc(-c2c(-c3ccc(C(C)(C)C)cc3)n3c4c(c5c(cc24)C(C)(C)CCC5(C)C)B2c4c-3ccc3c4-n4c5c2cc([Si](C)(C)C(C)(C)C)cc5c2cc([Si](C)(C)C(C)(C)C)cc(c24)C32c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C79H87BN2Si2/c1-73(2,3)48-33-29-46(30-34-48)64-56-45-60-65(78(15,16)40-39-77(60,13)14)67-71(56)81(68(64)47-31-35-49(36-32-47)74(4,5)6)63-38-37-59-72-66(63)80(67)62-44-51(84(19,20)76(10,11)12)42-55-54-41-50(83(17,18)75(7,8)9)43-61(69(54)82(72)70(55)62)79(59)57-27-23-21-25-52(57)53-26-22-24-28-58(53)79/h21-38,41-45H,39-40H2,1-20H3
• InChIKey: VJNPLFLWGPJCMT-UHFFFAOYSA-N
• XLogP: 18.26
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1131.56
LogP ≤ 5	18.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[9-[tert-butyl(dimethyl)silyl]-23,24-bis(4-tert-butylphenyl)-28,28,31,31-tetramethylspiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.027,32.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27(32)-tridecaene-17,9'-fluorene]-14-yl]-dimethylsilane?

The IUPAC name of tert-butyl-[9-[tert-butyl(dimethyl)silyl]-23,24-bis(4-tert-butylphenyl)-28,28,31,31-tetramethylspiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.027,32.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27(32)-tridecaene-17,9'-fluorene]-14-yl]-dimethylsilane (CID 177289475) is tert-butyl-[9-[tert-butyl(dimethyl)silyl]-23,24-bis(4-tert-butylphenyl)-28,28,31,31-tetramethylspiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.027,32.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27(32)-tridecaene-17,9'-fluorene]-14-yl]-dimethylsilane.

What is the SMILES notation for tert-butyl-[9-[tert-butyl(dimethyl)silyl]-23,24-bis(4-tert-butylphenyl)-28,28,31,31-tetramethylspiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.027,32.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27(32)-tridecaene-17,9'-fluorene]-14-yl]-dimethylsilane?

The canonical SMILES for tert-butyl-[9-[tert-butyl(dimethyl)silyl]-23,24-bis(4-tert-butylphenyl)-28,28,31,31-tetramethylspiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.027,32.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27(32)-tridecaene-17,9'-fluorene]-14-yl]-dimethylsilane is CC(C)(C)c1ccc(-c2c(-c3ccc(C(C)(C)C)cc3)n3c4c(c5c(cc24)C(C)(C)CCC5(C)C)B2c4c-3ccc3c4-n4c5c2cc([Si](C)(C)C(C)(C)C)cc5c2cc([Si](C)(C)C(C)(C)C)cc(c24)C32c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of tert-butyl-[9-[tert-butyl(dimethyl)silyl]-23,24-bis(4-tert-butylphenyl)-28,28,31,31-tetramethylspiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.027,32.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27(32)-tridecaene-17,9'-fluorene]-14-yl]-dimethylsilane?

The InChIKey is VJNPLFLWGPJCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H87BN2Si2/c1-73(2,3)48-33-29-46(30-34-48)64-56-45-60-65(78(15,16)40-39-77(60,13)14)67-71(56)81(68(64)47-31-35-49(36-32-47)74(4,5)6)63-38-37-59-72-66(63)80(67)62-44-51(84(19,20)76(10,11)12)42-55-54-41-50(83(17,18)75(7,8)9)43-61(69(54)82(72)70(55)62)79(59)57-27-23-21-25-52(57)53-26-22-24-28-58(53)79/h21-38,41-45H,39-40H2,1-20H3.

What are the key properties of tert-butyl-[9-[tert-butyl(dimethyl)silyl]-23,24-bis(4-tert-butylphenyl)-28,28,31,31-tetramethylspiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.027,32.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27(32)-tridecaene-17,9'-fluorene]-14-yl]-dimethylsilane?

tert-butyl-[9-[tert-butyl(dimethyl)silyl]-23,24-bis(4-tert-butylphenyl)-28,28,31,31-tetramethylspiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.027,32.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27(32)-tridecaene-17,9'-fluorene]-14-yl]-dimethylsilane has a molecular weight of 1131.56 g/mol, XLogP of 18.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[9-[tert-butyl(dimethyl)silyl]-23,24-bis(4-tert-butylphenyl)-28,28,31,31-tetramethylspiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.027,32.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27(32)-tridecaene-17,9'-fluorene]-14-yl]-dimethylsilane is sourced from PubChem (CID 177289475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).