16-methyl-11-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)-6-(1-tricyclo[3.3.0.02,7]octanyl)-26-oxa-2,19-diaza-1-boranonacyclo[16.13.1.12,9.119,27.03,8.014,32.020,25.013,34.031,33]tetratriaconta-3(8),4,6,9(34),10,12,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene

C48H39BN2O — CID 174015571

About 16-methyl-11-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)-6-(1-tricyclo[3.3.0.02,7]octanyl)-26-oxa-2,19-diaza-1-boranonacyclo[16.13.1.12,9.119,27.03,8.014,32.020,25.013,34.031,33]tetratriaconta-3(8),4,6,9(34),10,12,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene

16-methyl-11-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)-6-(1-tricyclo[3.3.0.02,7]octanyl)-26-oxa-2,19-diaza-1-boranonacyclo[16.13.1.12,9.119,27.03,8.014,32.020,25.013,34.031,33]tetratriaconta-3(8),4,6,9(34),10,12,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene (PubChem CID 174015571) has the molecular formula C48H39BN2O and a molecular weight of 670.67 g/mol. Its IUPAC name is 16-methyl-11-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)-6-(1-tricyclo[3.3.0.02,7]octanyl)-26-oxa-2,19-diaza-1-boranonacyclo[16.13.1.12,9.119,27.03,8.014,32.020,25.013,34.031,33]tetratriaconta-3(8),4,6,9(34),10,12,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene.

Molecular Properties

• Compound Name: 16-methyl-11-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)-6-(1-tricyclo[3.3.0.02,7]octanyl)-26-oxa-2,19-diaza-1-boranonacyclo[16.13.1.12,9.119,27.03,8.014,32.020,25.013,34.031,33]tetratriaconta-3(8),4,6,9(34),10,12,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene
• PubChem CID: 174015571
• Molecular Formula: C48H39BN2O
• Molecular Weight: 670.67 g/mol
• Exact Mass: 670.32
• IUPAC Name: 16-methyl-11-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)-6-(1-tricyclo[3.3.0.02,7]octanyl)-26-oxa-2,19-diaza-1-boranonacyclo[16.13.1.12,9.119,27.03,8.014,32.020,25.013,34.031,33]tetratriaconta-3(8),4,6,9(34),10,12,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene
• SMILES: Cc1cc2c3c(c1)N1c4ccccc4Oc4cccc(c41)B3n1c3ccc(C45CC6CC4CCC65)cc3c3cc(C45CC6CC7CC(C4)C765)cc-2c31
• InChI: InChI=1S/C48H39BN2O/c1-24-13-33-35-20-28(46-22-30-16-29-17-31(23-46)48(29,30)46)19-34-32-18-27(47-21-25-15-26(47)9-11-36(25)47)10-12-38(32)51(44(34)35)49-37-5-4-8-42-45(37)50(40(14-24)43(33)49)39-6-2-3-7-41(39)52-42/h2-8,10,12-14,18-20,25-26,29-31,36H,9,11,15-17,21-23H2,1H3
• InChIKey: LESATCWDLXEYRA-UHFFFAOYSA-N
• XLogP: 10.00
• TPSA: 17.40 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	670.67
LogP ≤ 5	10.00
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 16-methyl-11-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)-6-(1-tricyclo[3.3.0.02,7]octanyl)-26-oxa-2,19-diaza-1-boranonacyclo[16.13.1.12,9.119,27.03,8.014,32.020,25.013,34.031,33]tetratriaconta-3(8),4,6,9(34),10,12,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene?

The IUPAC name of 16-methyl-11-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)-6-(1-tricyclo[3.3.0.02,7]octanyl)-26-oxa-2,19-diaza-1-boranonacyclo[16.13.1.12,9.119,27.03,8.014,32.020,25.013,34.031,33]tetratriaconta-3(8),4,6,9(34),10,12,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene (CID 174015571) is 16-methyl-11-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)-6-(1-tricyclo[3.3.0.02,7]octanyl)-26-oxa-2,19-diaza-1-boranonacyclo[16.13.1.12,9.119,27.03,8.014,32.020,25.013,34.031,33]tetratriaconta-3(8),4,6,9(34),10,12,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene.

What is the SMILES notation for 16-methyl-11-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)-6-(1-tricyclo[3.3.0.02,7]octanyl)-26-oxa-2,19-diaza-1-boranonacyclo[16.13.1.12,9.119,27.03,8.014,32.020,25.013,34.031,33]tetratriaconta-3(8),4,6,9(34),10,12,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene?

The canonical SMILES for 16-methyl-11-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)-6-(1-tricyclo[3.3.0.02,7]octanyl)-26-oxa-2,19-diaza-1-boranonacyclo[16.13.1.12,9.119,27.03,8.014,32.020,25.013,34.031,33]tetratriaconta-3(8),4,6,9(34),10,12,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene is Cc1cc2c3c(c1)N1c4ccccc4Oc4cccc(c41)B3n1c3ccc(C45CC6CC4CCC65)cc3c3cc(C45CC6CC7CC(C4)C765)cc-2c31.

What is the InChIKey of 16-methyl-11-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)-6-(1-tricyclo[3.3.0.02,7]octanyl)-26-oxa-2,19-diaza-1-boranonacyclo[16.13.1.12,9.119,27.03,8.014,32.020,25.013,34.031,33]tetratriaconta-3(8),4,6,9(34),10,12,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene?

The InChIKey is LESATCWDLXEYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H39BN2O/c1-24-13-33-35-20-28(46-22-30-16-29-17-31(23-46)48(29,30)46)19-34-32-18-27(47-21-25-15-26(47)9-11-36(25)47)10-12-38(32)51(44(34)35)49-37-5-4-8-42-45(37)50(40(14-24)43(33)49)39-6-2-3-7-41(39)52-42/h2-8,10,12-14,18-20,25-26,29-31,36H,9,11,15-17,21-23H2,1H3.

What are the key properties of 16-methyl-11-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)-6-(1-tricyclo[3.3.0.02,7]octanyl)-26-oxa-2,19-diaza-1-boranonacyclo[16.13.1.12,9.119,27.03,8.014,32.020,25.013,34.031,33]tetratriaconta-3(8),4,6,9(34),10,12,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene?

16-methyl-11-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)-6-(1-tricyclo[3.3.0.02,7]octanyl)-26-oxa-2,19-diaza-1-boranonacyclo[16.13.1.12,9.119,27.03,8.014,32.020,25.013,34.031,33]tetratriaconta-3(8),4,6,9(34),10,12,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene has a molecular weight of 670.67 g/mol, XLogP of 10.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 16-methyl-11-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)-6-(1-tricyclo[3.3.0.02,7]octanyl)-26-oxa-2,19-diaza-1-boranonacyclo[16.13.1.12,9.119,27.03,8.014,32.020,25.013,34.031,33]tetratriaconta-3(8),4,6,9(34),10,12,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene is sourced from PubChem (CID 174015571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).