26,26,30,30,33,33-hexamethyl-15-phenyl-19-(3-phenylphenyl)-3-oxa-19,37-diaza-20-boradecacyclo[18.17.1.121,25.02,10.04,9.012,38.013,18.027,36.029,34.037,39]nonatriaconta-1,4,6,8,10,12(38),13(18),14,16,21(39),22,24,27(36),28,34-pentadecaene

C59H49BN2O — CID 174017345

About 26,26,30,30,33,33-hexamethyl-15-phenyl-19-(3-phenylphenyl)-3-oxa-19,37-diaza-20-boradecacyclo[18.17.1.121,25.02,10.04,9.012,38.013,18.027,36.029,34.037,39]nonatriaconta-1,4,6,8,10,12(38),13(18),14,16,21(39),22,24,27(36),28,34-pentadecaene

26,26,30,30,33,33-hexamethyl-15-phenyl-19-(3-phenylphenyl)-3-oxa-19,37-diaza-20-boradecacyclo[18.17.1.121,25.02,10.04,9.012,38.013,18.027,36.029,34.037,39]nonatriaconta-1,4,6,8,10,12(38),13(18),14,16,21(39),22,24,27(36),28,34-pentadecaene (PubChem CID 174017345) has the molecular formula C59H49BN2O and a molecular weight of 812.87 g/mol. Its IUPAC name is 26,26,30,30,33,33-hexamethyl-15-phenyl-19-(3-phenylphenyl)-3-oxa-19,37-diaza-20-boradecacyclo[18.17.1.121,25.02,10.04,9.012,38.013,18.027,36.029,34.037,39]nonatriaconta-1,4,6,8,10,12(38),13(18),14,16,21(39),22,24,27(36),28,34-pentadecaene.

Molecular Properties

• Compound Name: 26,26,30,30,33,33-hexamethyl-15-phenyl-19-(3-phenylphenyl)-3-oxa-19,37-diaza-20-boradecacyclo[18.17.1.121,25.02,10.04,9.012,38.013,18.027,36.029,34.037,39]nonatriaconta-1,4,6,8,10,12(38),13(18),14,16,21(39),22,24,27(36),28,34-pentadecaene
• PubChem CID: 174017345
• Molecular Formula: C59H49BN2O
• Molecular Weight: 812.87 g/mol
• Exact Mass: 812.39
• IUPAC Name: 26,26,30,30,33,33-hexamethyl-15-phenyl-19-(3-phenylphenyl)-3-oxa-19,37-diaza-20-boradecacyclo[18.17.1.121,25.02,10.04,9.012,38.013,18.027,36.029,34.037,39]nonatriaconta-1,4,6,8,10,12(38),13(18),14,16,21(39),22,24,27(36),28,34-pentadecaene
• SMILES: CC1(C)CCC(C)(C)c2cc3c(cc21)N1c2c(cccc2C3(C)C)B2c3c(cc4c(oc5ccccc54)c31)-c1cc(-c3ccccc3)ccc1N2c1cccc(-c2ccccc2)c1
• InChI: InChI=1S/C59H49BN2O/c1-57(2)29-30-58(3,4)47-35-51-48(34-46(47)57)59(5,6)45-24-16-25-49-54(45)61(51)55-53-43(33-44-41-23-13-14-26-52(41)63-56(44)55)42-32-39(37-19-11-8-12-20-37)27-28-50(42)62(60(49)53)40-22-15-21-38(31-40)36-17-9-7-10-18-36/h7-28,31-35H,29-30H2,1-6H3
• InChIKey: SJRNIMMLFRAYKA-UHFFFAOYSA-N
• XLogP: 14.62
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	812.87
LogP ≤ 5	14.62
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 26,26,30,30,33,33-hexamethyl-15-phenyl-19-(3-phenylphenyl)-3-oxa-19,37-diaza-20-boradecacyclo[18.17.1.121,25.02,10.04,9.012,38.013,18.027,36.029,34.037,39]nonatriaconta-1,4,6,8,10,12(38),13(18),14,16,21(39),22,24,27(36),28,34-pentadecaene?

The IUPAC name of 26,26,30,30,33,33-hexamethyl-15-phenyl-19-(3-phenylphenyl)-3-oxa-19,37-diaza-20-boradecacyclo[18.17.1.121,25.02,10.04,9.012,38.013,18.027,36.029,34.037,39]nonatriaconta-1,4,6,8,10,12(38),13(18),14,16,21(39),22,24,27(36),28,34-pentadecaene (CID 174017345) is 26,26,30,30,33,33-hexamethyl-15-phenyl-19-(3-phenylphenyl)-3-oxa-19,37-diaza-20-boradecacyclo[18.17.1.121,25.02,10.04,9.012,38.013,18.027,36.029,34.037,39]nonatriaconta-1,4,6,8,10,12(38),13(18),14,16,21(39),22,24,27(36),28,34-pentadecaene.

What is the SMILES notation for 26,26,30,30,33,33-hexamethyl-15-phenyl-19-(3-phenylphenyl)-3-oxa-19,37-diaza-20-boradecacyclo[18.17.1.121,25.02,10.04,9.012,38.013,18.027,36.029,34.037,39]nonatriaconta-1,4,6,8,10,12(38),13(18),14,16,21(39),22,24,27(36),28,34-pentadecaene?

The canonical SMILES for 26,26,30,30,33,33-hexamethyl-15-phenyl-19-(3-phenylphenyl)-3-oxa-19,37-diaza-20-boradecacyclo[18.17.1.121,25.02,10.04,9.012,38.013,18.027,36.029,34.037,39]nonatriaconta-1,4,6,8,10,12(38),13(18),14,16,21(39),22,24,27(36),28,34-pentadecaene is CC1(C)CCC(C)(C)c2cc3c(cc21)N1c2c(cccc2C3(C)C)B2c3c(cc4c(oc5ccccc54)c31)-c1cc(-c3ccccc3)ccc1N2c1cccc(-c2ccccc2)c1.

What is the InChIKey of 26,26,30,30,33,33-hexamethyl-15-phenyl-19-(3-phenylphenyl)-3-oxa-19,37-diaza-20-boradecacyclo[18.17.1.121,25.02,10.04,9.012,38.013,18.027,36.029,34.037,39]nonatriaconta-1,4,6,8,10,12(38),13(18),14,16,21(39),22,24,27(36),28,34-pentadecaene?

The InChIKey is SJRNIMMLFRAYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H49BN2O/c1-57(2)29-30-58(3,4)47-35-51-48(34-46(47)57)59(5,6)45-24-16-25-49-54(45)61(51)55-53-43(33-44-41-23-13-14-26-52(41)63-56(44)55)42-32-39(37-19-11-8-12-20-37)27-28-50(42)62(60(49)53)40-22-15-21-38(31-40)36-17-9-7-10-18-36/h7-28,31-35H,29-30H2,1-6H3.

What are the key properties of 26,26,30,30,33,33-hexamethyl-15-phenyl-19-(3-phenylphenyl)-3-oxa-19,37-diaza-20-boradecacyclo[18.17.1.121,25.02,10.04,9.012,38.013,18.027,36.029,34.037,39]nonatriaconta-1,4,6,8,10,12(38),13(18),14,16,21(39),22,24,27(36),28,34-pentadecaene?

26,26,30,30,33,33-hexamethyl-15-phenyl-19-(3-phenylphenyl)-3-oxa-19,37-diaza-20-boradecacyclo[18.17.1.121,25.02,10.04,9.012,38.013,18.027,36.029,34.037,39]nonatriaconta-1,4,6,8,10,12(38),13(18),14,16,21(39),22,24,27(36),28,34-pentadecaene has a molecular weight of 812.87 g/mol, XLogP of 14.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 26,26,30,30,33,33-hexamethyl-15-phenyl-19-(3-phenylphenyl)-3-oxa-19,37-diaza-20-boradecacyclo[18.17.1.121,25.02,10.04,9.012,38.013,18.027,36.029,34.037,39]nonatriaconta-1,4,6,8,10,12(38),13(18),14,16,21(39),22,24,27(36),28,34-pentadecaene is sourced from PubChem (CID 174017345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).