17-tert-butyl-9,9-dimethyl-20-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-24-oxa-2,20-diaza-9-sila-1-boranonacyclo[17.14.1.12,10.03,8.015,34.021,33.023,31.025,30.014,35]pentatriaconta-3,5,7,10,12,14(35),15(34),16,18,21,23(31),25,27,29,32-pentadecaene

C51H51BN2OSi — CID 174125612

About 17-tert-butyl-9,9-dimethyl-20-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-24-oxa-2,20-diaza-9-sila-1-boranonacyclo[17.14.1.12,10.03,8.015,34.021,33.023,31.025,30.014,35]pentatriaconta-3,5,7,10,12,14(35),15(34),16,18,21,23(31),25,27,29,32-pentadecaene

17-tert-butyl-9,9-dimethyl-20-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-24-oxa-2,20-diaza-9-sila-1-boranonacyclo[17.14.1.12,10.03,8.015,34.021,33.023,31.025,30.014,35]pentatriaconta-3,5,7,10,12,14(35),15(34),16,18,21,23(31),25,27,29,32-pentadecaene (PubChem CID 174125612) has the molecular formula C51H51BN2OSi and a molecular weight of 746.88 g/mol. Its IUPAC name is 17-tert-butyl-9,9-dimethyl-20-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-24-oxa-2,20-diaza-9-sila-1-boranonacyclo[17.14.1.12,10.03,8.015,34.021,33.023,31.025,30.014,35]pentatriaconta-3,5,7,10,12,14(35),15(34),16,18,21,23(31),25,27,29,32-pentadecaene.

Molecular Properties

• Compound Name: 17-tert-butyl-9,9-dimethyl-20-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-24-oxa-2,20-diaza-9-sila-1-boranonacyclo[17.14.1.12,10.03,8.015,34.021,33.023,31.025,30.014,35]pentatriaconta-3,5,7,10,12,14(35),15(34),16,18,21,23(31),25,27,29,32-pentadecaene
• PubChem CID: 174125612
• Molecular Formula: C51H51BN2OSi
• Molecular Weight: 746.88 g/mol
• Exact Mass: 746.39
• IUPAC Name: 17-tert-butyl-9,9-dimethyl-20-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-24-oxa-2,20-diaza-9-sila-1-boranonacyclo[17.14.1.12,10.03,8.015,34.021,33.023,31.025,30.014,35]pentatriaconta-3,5,7,10,12,14(35),15(34),16,18,21,23(31),25,27,29,32-pentadecaene
• SMILES: Cc1cc2c(cc1N1c3cc4oc5ccccc5c4cc3B3c4c(cc(C(C)(C)C)cc41)-c1cccc4c1N3c1ccccc1[Si]4(C)C)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C51H51BN2OSi/c1-30-24-36-37(51(7,8)23-22-50(36,5)6)28-40(30)53-41-29-44-34(32-16-11-13-19-43(32)55-44)27-38(41)52-47-35(25-31(26-42(47)53)49(2,3)4)33-17-15-21-46-48(33)54(52)39-18-12-14-20-45(39)56(46,9)10/h11-21,24-29H,22-23H2,1-10H3
• InChIKey: IQOBKXOWGUCJHC-UHFFFAOYSA-N
• XLogP: 11.38
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	746.88
LogP ≤ 5	11.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 17-tert-butyl-9,9-dimethyl-20-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-24-oxa-2,20-diaza-9-sila-1-boranonacyclo[17.14.1.12,10.03,8.015,34.021,33.023,31.025,30.014,35]pentatriaconta-3,5,7,10,12,14(35),15(34),16,18,21,23(31),25,27,29,32-pentadecaene?

The IUPAC name of 17-tert-butyl-9,9-dimethyl-20-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-24-oxa-2,20-diaza-9-sila-1-boranonacyclo[17.14.1.12,10.03,8.015,34.021,33.023,31.025,30.014,35]pentatriaconta-3,5,7,10,12,14(35),15(34),16,18,21,23(31),25,27,29,32-pentadecaene (CID 174125612) is 17-tert-butyl-9,9-dimethyl-20-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-24-oxa-2,20-diaza-9-sila-1-boranonacyclo[17.14.1.12,10.03,8.015,34.021,33.023,31.025,30.014,35]pentatriaconta-3,5,7,10,12,14(35),15(34),16,18,21,23(31),25,27,29,32-pentadecaene.

What is the SMILES notation for 17-tert-butyl-9,9-dimethyl-20-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-24-oxa-2,20-diaza-9-sila-1-boranonacyclo[17.14.1.12,10.03,8.015,34.021,33.023,31.025,30.014,35]pentatriaconta-3,5,7,10,12,14(35),15(34),16,18,21,23(31),25,27,29,32-pentadecaene?

The canonical SMILES for 17-tert-butyl-9,9-dimethyl-20-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-24-oxa-2,20-diaza-9-sila-1-boranonacyclo[17.14.1.12,10.03,8.015,34.021,33.023,31.025,30.014,35]pentatriaconta-3,5,7,10,12,14(35),15(34),16,18,21,23(31),25,27,29,32-pentadecaene is Cc1cc2c(cc1N1c3cc4oc5ccccc5c4cc3B3c4c(cc(C(C)(C)C)cc41)-c1cccc4c1N3c1ccccc1[Si]4(C)C)C(C)(C)CCC2(C)C.

What is the InChIKey of 17-tert-butyl-9,9-dimethyl-20-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-24-oxa-2,20-diaza-9-sila-1-boranonacyclo[17.14.1.12,10.03,8.015,34.021,33.023,31.025,30.014,35]pentatriaconta-3,5,7,10,12,14(35),15(34),16,18,21,23(31),25,27,29,32-pentadecaene?

The InChIKey is IQOBKXOWGUCJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H51BN2OSi/c1-30-24-36-37(51(7,8)23-22-50(36,5)6)28-40(30)53-41-29-44-34(32-16-11-13-19-43(32)55-44)27-38(41)52-47-35(25-31(26-42(47)53)49(2,3)4)33-17-15-21-46-48(33)54(52)39-18-12-14-20-45(39)56(46,9)10/h11-21,24-29H,22-23H2,1-10H3.

What are the key properties of 17-tert-butyl-9,9-dimethyl-20-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-24-oxa-2,20-diaza-9-sila-1-boranonacyclo[17.14.1.12,10.03,8.015,34.021,33.023,31.025,30.014,35]pentatriaconta-3,5,7,10,12,14(35),15(34),16,18,21,23(31),25,27,29,32-pentadecaene?

17-tert-butyl-9,9-dimethyl-20-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-24-oxa-2,20-diaza-9-sila-1-boranonacyclo[17.14.1.12,10.03,8.015,34.021,33.023,31.025,30.014,35]pentatriaconta-3,5,7,10,12,14(35),15(34),16,18,21,23(31),25,27,29,32-pentadecaene has a molecular weight of 746.88 g/mol, XLogP of 11.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 17-tert-butyl-9,9-dimethyl-20-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-24-oxa-2,20-diaza-9-sila-1-boranonacyclo[17.14.1.12,10.03,8.015,34.021,33.023,31.025,30.014,35]pentatriaconta-3,5,7,10,12,14(35),15(34),16,18,21,23(31),25,27,29,32-pentadecaene is sourced from PubChem (CID 174125612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).