18,23-dioxa-8,32-diaza-25-boradodecacyclo[37.3.1.02,7.08,42.09,24.010,22.011,19.012,17.025,41.026,31.032,40.033,38]tritetraconta-1(42),2,4,6,9(24),10(22),11(19),12,14,16,20,26,28,30,33,35,37,39(43),40-nonadecaene

C38H19BN2O2 — CID 168794506

About 18,23-dioxa-8,32-diaza-25-boradodecacyclo[37.3.1.02,7.08,42.09,24.010,22.011,19.012,17.025,41.026,31.032,40.033,38]tritetraconta-1(42),2,4,6,9(24),10(22),11(19),12,14,16,20,26,28,30,33,35,37,39(43),40-nonadecaene

18,23-dioxa-8,32-diaza-25-boradodecacyclo[37.3.1.02,7.08,42.09,24.010,22.011,19.012,17.025,41.026,31.032,40.033,38]tritetraconta-1(42),2,4,6,9(24),10(22),11(19),12,14,16,20,26,28,30,33,35,37,39(43),40-nonadecaene (PubChem CID 168794506) has the molecular formula C38H19BN2O2 and a molecular weight of 546.39 g/mol. Its IUPAC name is 18,23-dioxa-8,32-diaza-25-boradodecacyclo[37.3.1.02,7.08,42.09,24.010,22.011,19.012,17.025,41.026,31.032,40.033,38]tritetraconta-1(42),2,4,6,9(24),10(22),11(19),12,14,16,20,26,28,30,33,35,37,39(43),40-nonadecaene.

Molecular Properties

• Compound Name: 18,23-dioxa-8,32-diaza-25-boradodecacyclo[37.3.1.02,7.08,42.09,24.010,22.011,19.012,17.025,41.026,31.032,40.033,38]tritetraconta-1(42),2,4,6,9(24),10(22),11(19),12,14,16,20,26,28,30,33,35,37,39(43),40-nonadecaene
• PubChem CID: 168794506
• Molecular Formula: C38H19BN2O2
• Molecular Weight: 546.39 g/mol
• Exact Mass: 546.15
• IUPAC Name: 18,23-dioxa-8,32-diaza-25-boradodecacyclo[37.3.1.02,7.08,42.09,24.010,22.011,19.012,17.025,41.026,31.032,40.033,38]tritetraconta-1(42),2,4,6,9(24),10(22),11(19),12,14,16,20,26,28,30,33,35,37,39(43),40-nonadecaene
• SMILES: c1ccc2c(c1)B1c3oc4ccc5oc6ccccc6c5c4c3-n3c4ccccc4c4cc5c6ccccc6n-2c5c1c43
• InChI: InChI=1S/C38H19BN2O2/c1-5-13-26-20(9-1)23-19-24-21-10-2-6-14-27(21)41-36(24)34-35(23)40(26)28-15-7-4-12-25(28)39(34)38-37(41)33-31(43-38)18-17-30-32(33)22-11-3-8-16-29(22)42-30/h1-19H
• InChIKey: DHPAWYBDMXRIJV-UHFFFAOYSA-N
• XLogP: 7.67
• TPSA: 36.14 Ų
• H-Bond Acceptors: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.39
LogP ≤ 5	7.67
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 18,23-dioxa-8,32-diaza-25-boradodecacyclo[37.3.1.02,7.08,42.09,24.010,22.011,19.012,17.025,41.026,31.032,40.033,38]tritetraconta-1(42),2,4,6,9(24),10(22),11(19),12,14,16,20,26,28,30,33,35,37,39(43),40-nonadecaene?

The IUPAC name of 18,23-dioxa-8,32-diaza-25-boradodecacyclo[37.3.1.02,7.08,42.09,24.010,22.011,19.012,17.025,41.026,31.032,40.033,38]tritetraconta-1(42),2,4,6,9(24),10(22),11(19),12,14,16,20,26,28,30,33,35,37,39(43),40-nonadecaene (CID 168794506) is 18,23-dioxa-8,32-diaza-25-boradodecacyclo[37.3.1.02,7.08,42.09,24.010,22.011,19.012,17.025,41.026,31.032,40.033,38]tritetraconta-1(42),2,4,6,9(24),10(22),11(19),12,14,16,20,26,28,30,33,35,37,39(43),40-nonadecaene.

What is the SMILES notation for 18,23-dioxa-8,32-diaza-25-boradodecacyclo[37.3.1.02,7.08,42.09,24.010,22.011,19.012,17.025,41.026,31.032,40.033,38]tritetraconta-1(42),2,4,6,9(24),10(22),11(19),12,14,16,20,26,28,30,33,35,37,39(43),40-nonadecaene?

The canonical SMILES for 18,23-dioxa-8,32-diaza-25-boradodecacyclo[37.3.1.02,7.08,42.09,24.010,22.011,19.012,17.025,41.026,31.032,40.033,38]tritetraconta-1(42),2,4,6,9(24),10(22),11(19),12,14,16,20,26,28,30,33,35,37,39(43),40-nonadecaene is c1ccc2c(c1)B1c3oc4ccc5oc6ccccc6c5c4c3-n3c4ccccc4c4cc5c6ccccc6n-2c5c1c43.

What is the InChIKey of 18,23-dioxa-8,32-diaza-25-boradodecacyclo[37.3.1.02,7.08,42.09,24.010,22.011,19.012,17.025,41.026,31.032,40.033,38]tritetraconta-1(42),2,4,6,9(24),10(22),11(19),12,14,16,20,26,28,30,33,35,37,39(43),40-nonadecaene?

The InChIKey is DHPAWYBDMXRIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H19BN2O2/c1-5-13-26-20(9-1)23-19-24-21-10-2-6-14-27(21)41-36(24)34-35(23)40(26)28-15-7-4-12-25(28)39(34)38-37(41)33-31(43-38)18-17-30-32(33)22-11-3-8-16-29(22)42-30/h1-19H.

What are the key properties of 18,23-dioxa-8,32-diaza-25-boradodecacyclo[37.3.1.02,7.08,42.09,24.010,22.011,19.012,17.025,41.026,31.032,40.033,38]tritetraconta-1(42),2,4,6,9(24),10(22),11(19),12,14,16,20,26,28,30,33,35,37,39(43),40-nonadecaene?

18,23-dioxa-8,32-diaza-25-boradodecacyclo[37.3.1.02,7.08,42.09,24.010,22.011,19.012,17.025,41.026,31.032,40.033,38]tritetraconta-1(42),2,4,6,9(24),10(22),11(19),12,14,16,20,26,28,30,33,35,37,39(43),40-nonadecaene has a molecular weight of 546.39 g/mol, XLogP of 7.67, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 18,23-dioxa-8,32-diaza-25-boradodecacyclo[37.3.1.02,7.08,42.09,24.010,22.011,19.012,17.025,41.026,31.032,40.033,38]tritetraconta-1(42),2,4,6,9(24),10(22),11(19),12,14,16,20,26,28,30,33,35,37,39(43),40-nonadecaene is sourced from PubChem (CID 168794506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).