9,9-dimethyl-24-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-27-oxa-2,24-diaza-9-sila-1-boradecacyclo[21.14.1.12,10.03,8.015,38.016,21.025,37.026,34.028,33.014,39]nonatriaconta-3,5,7,10,12,14(39),15(38),16,18,20,22,25(37),26(34),28,30,32,35-heptadecaene

C51H45BN2OSi — CID 174016024

About 9,9-dimethyl-24-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-27-oxa-2,24-diaza-9-sila-1-boradecacyclo[21.14.1.12,10.03,8.015,38.016,21.025,37.026,34.028,33.014,39]nonatriaconta-3,5,7,10,12,14(39),15(38),16,18,20,22,25(37),26(34),28,30,32,35-heptadecaene

9,9-dimethyl-24-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-27-oxa-2,24-diaza-9-sila-1-boradecacyclo[21.14.1.12,10.03,8.015,38.016,21.025,37.026,34.028,33.014,39]nonatriaconta-3,5,7,10,12,14(39),15(38),16,18,20,22,25(37),26(34),28,30,32,35-heptadecaene (PubChem CID 174016024) has the molecular formula C51H45BN2OSi and a molecular weight of 740.83 g/mol. Its IUPAC name is 9,9-dimethyl-24-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-27-oxa-2,24-diaza-9-sila-1-boradecacyclo[21.14.1.12,10.03,8.015,38.016,21.025,37.026,34.028,33.014,39]nonatriaconta-3,5,7,10,12,14(39),15(38),16,18,20,22,25(37),26(34),28,30,32,35-heptadecaene.

Molecular Properties

• Compound Name: 9,9-dimethyl-24-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-27-oxa-2,24-diaza-9-sila-1-boradecacyclo[21.14.1.12,10.03,8.015,38.016,21.025,37.026,34.028,33.014,39]nonatriaconta-3,5,7,10,12,14(39),15(38),16,18,20,22,25(37),26(34),28,30,32,35-heptadecaene
• PubChem CID: 174016024
• Molecular Formula: C51H45BN2OSi
• Molecular Weight: 740.83 g/mol
• Exact Mass: 740.34
• IUPAC Name: 9,9-dimethyl-24-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-27-oxa-2,24-diaza-9-sila-1-boradecacyclo[21.14.1.12,10.03,8.015,38.016,21.025,37.026,34.028,33.014,39]nonatriaconta-3,5,7,10,12,14(39),15(38),16,18,20,22,25(37),26(34),28,30,32,35-heptadecaene
• SMILES: Cc1cc2c(cc1N1c3cc4ccccc4c4c3B(c3ccc5c(oc6ccccc65)c31)N1c3ccccc3[Si](C)(C)c3cccc-4c31)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C51H45BN2OSi/c1-30-27-36-37(51(4,5)26-25-50(36,2)3)29-40(30)53-41-28-31-15-8-9-16-32(31)45-35-18-14-22-44-47(35)54(39-19-11-13-21-43(39)56(44,6)7)52(46(41)45)38-24-23-34-33-17-10-12-20-42(33)55-49(34)48(38)53/h8-24,27-29H,25-26H2,1-7H3
• InChIKey: NPWMHECWNNYKRF-UHFFFAOYSA-N
• XLogP: 11.24
• 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	740.83
LogP ≤ 5	11.24
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 9,9-dimethyl-24-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-27-oxa-2,24-diaza-9-sila-1-boradecacyclo[21.14.1.12,10.03,8.015,38.016,21.025,37.026,34.028,33.014,39]nonatriaconta-3,5,7,10,12,14(39),15(38),16,18,20,22,25(37),26(34),28,30,32,35-heptadecaene?

The IUPAC name of 9,9-dimethyl-24-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-27-oxa-2,24-diaza-9-sila-1-boradecacyclo[21.14.1.12,10.03,8.015,38.016,21.025,37.026,34.028,33.014,39]nonatriaconta-3,5,7,10,12,14(39),15(38),16,18,20,22,25(37),26(34),28,30,32,35-heptadecaene (CID 174016024) is 9,9-dimethyl-24-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-27-oxa-2,24-diaza-9-sila-1-boradecacyclo[21.14.1.12,10.03,8.015,38.016,21.025,37.026,34.028,33.014,39]nonatriaconta-3,5,7,10,12,14(39),15(38),16,18,20,22,25(37),26(34),28,30,32,35-heptadecaene.

What is the SMILES notation for 9,9-dimethyl-24-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-27-oxa-2,24-diaza-9-sila-1-boradecacyclo[21.14.1.12,10.03,8.015,38.016,21.025,37.026,34.028,33.014,39]nonatriaconta-3,5,7,10,12,14(39),15(38),16,18,20,22,25(37),26(34),28,30,32,35-heptadecaene?

The canonical SMILES for 9,9-dimethyl-24-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-27-oxa-2,24-diaza-9-sila-1-boradecacyclo[21.14.1.12,10.03,8.015,38.016,21.025,37.026,34.028,33.014,39]nonatriaconta-3,5,7,10,12,14(39),15(38),16,18,20,22,25(37),26(34),28,30,32,35-heptadecaene is Cc1cc2c(cc1N1c3cc4ccccc4c4c3B(c3ccc5c(oc6ccccc65)c31)N1c3ccccc3[Si](C)(C)c3cccc-4c31)C(C)(C)CCC2(C)C.

What is the InChIKey of 9,9-dimethyl-24-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-27-oxa-2,24-diaza-9-sila-1-boradecacyclo[21.14.1.12,10.03,8.015,38.016,21.025,37.026,34.028,33.014,39]nonatriaconta-3,5,7,10,12,14(39),15(38),16,18,20,22,25(37),26(34),28,30,32,35-heptadecaene?

The InChIKey is NPWMHECWNNYKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H45BN2OSi/c1-30-27-36-37(51(4,5)26-25-50(36,2)3)29-40(30)53-41-28-31-15-8-9-16-32(31)45-35-18-14-22-44-47(35)54(39-19-11-13-21-43(39)56(44,6)7)52(46(41)45)38-24-23-34-33-17-10-12-20-42(33)55-49(34)48(38)53/h8-24,27-29H,25-26H2,1-7H3.

What are the key properties of 9,9-dimethyl-24-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-27-oxa-2,24-diaza-9-sila-1-boradecacyclo[21.14.1.12,10.03,8.015,38.016,21.025,37.026,34.028,33.014,39]nonatriaconta-3,5,7,10,12,14(39),15(38),16,18,20,22,25(37),26(34),28,30,32,35-heptadecaene?

9,9-dimethyl-24-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-27-oxa-2,24-diaza-9-sila-1-boradecacyclo[21.14.1.12,10.03,8.015,38.016,21.025,37.026,34.028,33.014,39]nonatriaconta-3,5,7,10,12,14(39),15(38),16,18,20,22,25(37),26(34),28,30,32,35-heptadecaene has a molecular weight of 740.83 g/mol, XLogP of 11.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-24-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-27-oxa-2,24-diaza-9-sila-1-boradecacyclo[21.14.1.12,10.03,8.015,38.016,21.025,37.026,34.028,33.014,39]nonatriaconta-3,5,7,10,12,14(39),15(38),16,18,20,22,25(37),26(34),28,30,32,35-heptadecaene is sourced from PubChem (CID 174016024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).