10,10,14,14-tetramethyl-27-oxa-34-aza-3,21-diboradecacyclo[19.13.1.122,26.02,11.03,32.04,9.013,35.015,20.028,33.034,36]hexatriaconta-1,4,6,8,11,13(35),15,17,19,22(36),23,25,28,30,32-pentadecaene

C36H27B2NO — CID 168813648

About 10,10,14,14-tetramethyl-27-oxa-34-aza-3,21-diboradecacyclo[19.13.1.122,26.02,11.03,32.04,9.013,35.015,20.028,33.034,36]hexatriaconta-1,4,6,8,11,13(35),15,17,19,22(36),23,25,28,30,32-pentadecaene

10,10,14,14-tetramethyl-27-oxa-34-aza-3,21-diboradecacyclo[19.13.1.122,26.02,11.03,32.04,9.013,35.015,20.028,33.034,36]hexatriaconta-1,4,6,8,11,13(35),15,17,19,22(36),23,25,28,30,32-pentadecaene (PubChem CID 168813648) has the molecular formula C36H27B2NO and a molecular weight of 511.24 g/mol. Its IUPAC name is 10,10,14,14-tetramethyl-27-oxa-34-aza-3,21-diboradecacyclo[19.13.1.122,26.02,11.03,32.04,9.013,35.015,20.028,33.034,36]hexatriaconta-1,4,6,8,11,13(35),15,17,19,22(36),23,25,28,30,32-pentadecaene.

Molecular Properties

• Compound Name: 10,10,14,14-tetramethyl-27-oxa-34-aza-3,21-diboradecacyclo[19.13.1.122,26.02,11.03,32.04,9.013,35.015,20.028,33.034,36]hexatriaconta-1,4,6,8,11,13(35),15,17,19,22(36),23,25,28,30,32-pentadecaene
• PubChem CID: 168813648
• Molecular Formula: C36H27B2NO
• Molecular Weight: 511.24 g/mol
• Exact Mass: 511.23
• IUPAC Name: 10,10,14,14-tetramethyl-27-oxa-34-aza-3,21-diboradecacyclo[19.13.1.122,26.02,11.03,32.04,9.013,35.015,20.028,33.034,36]hexatriaconta-1,4,6,8,11,13(35),15,17,19,22(36),23,25,28,30,32-pentadecaene
• SMILES: CC1(C)c2ccccc2B2c3cccc4c3N3c5c(cccc5B5c6ccccc6C(C)(C)c6cc1c2c3c65)O4
• InChI: InChI=1S/C36H27B2NO/c1-35(2)20-11-5-7-13-24(20)37-26-15-9-17-28-32(26)39-33-27(16-10-18-29(33)40-28)38-25-14-8-6-12-21(25)36(3,4)23-19-22(35)30(37)34(39)31(23)38/h5-19H,1-4H3
• InChIKey: LTSXEUJXYLVQGP-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.24
LogP ≤ 5	4.20
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 10,10,14,14-tetramethyl-27-oxa-34-aza-3,21-diboradecacyclo[19.13.1.122,26.02,11.03,32.04,9.013,35.015,20.028,33.034,36]hexatriaconta-1,4,6,8,11,13(35),15,17,19,22(36),23,25,28,30,32-pentadecaene?

The IUPAC name of 10,10,14,14-tetramethyl-27-oxa-34-aza-3,21-diboradecacyclo[19.13.1.122,26.02,11.03,32.04,9.013,35.015,20.028,33.034,36]hexatriaconta-1,4,6,8,11,13(35),15,17,19,22(36),23,25,28,30,32-pentadecaene (CID 168813648) is 10,10,14,14-tetramethyl-27-oxa-34-aza-3,21-diboradecacyclo[19.13.1.122,26.02,11.03,32.04,9.013,35.015,20.028,33.034,36]hexatriaconta-1,4,6,8,11,13(35),15,17,19,22(36),23,25,28,30,32-pentadecaene.

What is the SMILES notation for 10,10,14,14-tetramethyl-27-oxa-34-aza-3,21-diboradecacyclo[19.13.1.122,26.02,11.03,32.04,9.013,35.015,20.028,33.034,36]hexatriaconta-1,4,6,8,11,13(35),15,17,19,22(36),23,25,28,30,32-pentadecaene?

The canonical SMILES for 10,10,14,14-tetramethyl-27-oxa-34-aza-3,21-diboradecacyclo[19.13.1.122,26.02,11.03,32.04,9.013,35.015,20.028,33.034,36]hexatriaconta-1,4,6,8,11,13(35),15,17,19,22(36),23,25,28,30,32-pentadecaene is CC1(C)c2ccccc2B2c3cccc4c3N3c5c(cccc5B5c6ccccc6C(C)(C)c6cc1c2c3c65)O4.

What is the InChIKey of 10,10,14,14-tetramethyl-27-oxa-34-aza-3,21-diboradecacyclo[19.13.1.122,26.02,11.03,32.04,9.013,35.015,20.028,33.034,36]hexatriaconta-1,4,6,8,11,13(35),15,17,19,22(36),23,25,28,30,32-pentadecaene?

The InChIKey is LTSXEUJXYLVQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27B2NO/c1-35(2)20-11-5-7-13-24(20)37-26-15-9-17-28-32(26)39-33-27(16-10-18-29(33)40-28)38-25-14-8-6-12-21(25)36(3,4)23-19-22(35)30(37)34(39)31(23)38/h5-19H,1-4H3.

What are the key properties of 10,10,14,14-tetramethyl-27-oxa-34-aza-3,21-diboradecacyclo[19.13.1.122,26.02,11.03,32.04,9.013,35.015,20.028,33.034,36]hexatriaconta-1,4,6,8,11,13(35),15,17,19,22(36),23,25,28,30,32-pentadecaene?

10,10,14,14-tetramethyl-27-oxa-34-aza-3,21-diboradecacyclo[19.13.1.122,26.02,11.03,32.04,9.013,35.015,20.028,33.034,36]hexatriaconta-1,4,6,8,11,13(35),15,17,19,22(36),23,25,28,30,32-pentadecaene has a molecular weight of 511.24 g/mol, XLogP of 4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10,14,14-tetramethyl-27-oxa-34-aza-3,21-diboradecacyclo[19.13.1.122,26.02,11.03,32.04,9.013,35.015,20.028,33.034,36]hexatriaconta-1,4,6,8,11,13(35),15,17,19,22(36),23,25,28,30,32-pentadecaene is sourced from PubChem (CID 168813648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).