[11,17-bis(4-tert-butylphenyl)-23-trimethylsilyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12(27),13,15,18(26),19(24),20,22-undecaen-5-yl]-trimethylsilane

C48H53BN2O2Si2 — CID 159292093

About [11,17-bis(4-tert-butylphenyl)-23-trimethylsilyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12(27),13,15,18(26),19(24),20,22-undecaen-5-yl]-trimethylsilane

[11,17-bis(4-tert-butylphenyl)-23-trimethylsilyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12(27),13,15,18(26),19(24),20,22-undecaen-5-yl]-trimethylsilane (PubChem CID 159292093) has the molecular formula C48H53BN2O2Si2 and a molecular weight of 756.95 g/mol. Its IUPAC name is [11,17-bis(4-tert-butylphenyl)-23-trimethylsilyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12(27),13,15,18(26),19(24),20,22-undecaen-5-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [11,17-bis(4-tert-butylphenyl)-23-trimethylsilyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12(27),13,15,18(26),19(24),20,22-undecaen-5-yl]-trimethylsilane
• PubChem CID: 159292093
• Molecular Formula: C48H53BN2O2Si2
• Molecular Weight: 756.95 g/mol
• Exact Mass: 756.37
• IUPAC Name: [11,17-bis(4-tert-butylphenyl)-23-trimethylsilyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12(27),13,15,18(26),19(24),20,22-undecaen-5-yl]-trimethylsilane
• SMILES: CC(C)(C)c1ccc(N2c3cccc4c3B(c3oc5c([Si](C)(C)C)cccc5c32)c2oc3c([Si](C)(C)C)cccc3c2N4c2ccc(C(C)(C)C)cc2)cc1
• InChI: InChI=1S/C48H53BN2O2Si2/c1-47(2,3)30-22-26-32(27-23-30)50-36-18-15-19-37-40(36)49(45-41(50)34-16-13-20-38(43(34)52-45)54(7,8)9)46-42(35-17-14-21-39(44(35)53-46)55(10,11)12)51(37)33-28-24-31(25-29-33)48(4,5)6/h13-29H,1-12H3
• InChIKey: OKOVEHZOLVLWIC-UHFFFAOYSA-N
• XLogP: 10.95
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.95
LogP ≤ 5	10.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [11,17-bis(4-tert-butylphenyl)-23-trimethylsilyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12(27),13,15,18(26),19(24),20,22-undecaen-5-yl]-trimethylsilane?

The IUPAC name of [11,17-bis(4-tert-butylphenyl)-23-trimethylsilyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12(27),13,15,18(26),19(24),20,22-undecaen-5-yl]-trimethylsilane (CID 159292093) is [11,17-bis(4-tert-butylphenyl)-23-trimethylsilyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12(27),13,15,18(26),19(24),20,22-undecaen-5-yl]-trimethylsilane.

What is the SMILES notation for [11,17-bis(4-tert-butylphenyl)-23-trimethylsilyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12(27),13,15,18(26),19(24),20,22-undecaen-5-yl]-trimethylsilane?

The canonical SMILES for [11,17-bis(4-tert-butylphenyl)-23-trimethylsilyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12(27),13,15,18(26),19(24),20,22-undecaen-5-yl]-trimethylsilane is CC(C)(C)c1ccc(N2c3cccc4c3B(c3oc5c([Si](C)(C)C)cccc5c32)c2oc3c([Si](C)(C)C)cccc3c2N4c2ccc(C(C)(C)C)cc2)cc1.

What is the InChIKey of [11,17-bis(4-tert-butylphenyl)-23-trimethylsilyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12(27),13,15,18(26),19(24),20,22-undecaen-5-yl]-trimethylsilane?

The InChIKey is OKOVEHZOLVLWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H53BN2O2Si2/c1-47(2,3)30-22-26-32(27-23-30)50-36-18-15-19-37-40(36)49(45-41(50)34-16-13-20-38(43(34)52-45)54(7,8)9)46-42(35-17-14-21-39(44(35)53-46)55(10,11)12)51(37)33-28-24-31(25-29-33)48(4,5)6/h13-29H,1-12H3.

What are the key properties of [11,17-bis(4-tert-butylphenyl)-23-trimethylsilyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12(27),13,15,18(26),19(24),20,22-undecaen-5-yl]-trimethylsilane?

[11,17-bis(4-tert-butylphenyl)-23-trimethylsilyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12(27),13,15,18(26),19(24),20,22-undecaen-5-yl]-trimethylsilane has a molecular weight of 756.95 g/mol, XLogP of 10.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [11,17-bis(4-tert-butylphenyl)-23-trimethylsilyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12(27),13,15,18(26),19(24),20,22-undecaen-5-yl]-trimethylsilane is sourced from PubChem (CID 159292093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).