11-dibenzofuran-4-yl-5,5,7,7,14,21,21,23,23-nonamethyl-17-(3,9,9,10,10-pentamethylanthracen-2-yl)-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2,4(8),9,12(27),13,15,18,20(24),25-nonaene

C64H65BN2O — CID 167391721

About 11-dibenzofuran-4-yl-5,5,7,7,14,21,21,23,23-nonamethyl-17-(3,9,9,10,10-pentamethylanthracen-2-yl)-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2,4(8),9,12(27),13,15,18,20(24),25-nonaene

11-dibenzofuran-4-yl-5,5,7,7,14,21,21,23,23-nonamethyl-17-(3,9,9,10,10-pentamethylanthracen-2-yl)-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2,4(8),9,12(27),13,15,18,20(24),25-nonaene (PubChem CID 167391721) has the molecular formula C64H65BN2O and a molecular weight of 889.05 g/mol. Its IUPAC name is 11-dibenzofuran-4-yl-5,5,7,7,14,21,21,23,23-nonamethyl-17-(3,9,9,10,10-pentamethylanthracen-2-yl)-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2,4(8),9,12(27),13,15,18,20(24),25-nonaene.

Molecular Properties

• Compound Name: 11-dibenzofuran-4-yl-5,5,7,7,14,21,21,23,23-nonamethyl-17-(3,9,9,10,10-pentamethylanthracen-2-yl)-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2,4(8),9,12(27),13,15,18,20(24),25-nonaene
• PubChem CID: 167391721
• Molecular Formula: C64H65BN2O
• Molecular Weight: 889.05 g/mol
• Exact Mass: 888.52
• IUPAC Name: 11-dibenzofuran-4-yl-5,5,7,7,14,21,21,23,23-nonamethyl-17-(3,9,9,10,10-pentamethylanthracen-2-yl)-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2,4(8),9,12(27),13,15,18,20(24),25-nonaene
• SMILES: Cc1cc2c3c(c1)N(c1cccc4c1oc1ccccc14)c1cc4c(cc1B3c1cc3c(cc1N2c1cc2c(cc1C)C(C)(C)c1ccccc1C2(C)C)C(C)(C)CC3(C)C)C(C)(C)CC4(C)C
• InChI: InChI=1S/C64H65BN2O/c1-36-26-54-57-55(27-36)67(51-33-47-46(28-37(51)2)63(11,12)40-22-16-17-23-41(40)64(47,13)14)53-32-45-43(60(5,6)35-62(45,9)10)30-49(53)65(57)48-29-42-44(61(7,8)34-59(42,3)4)31-52(48)66(54)50-24-19-21-39-38-20-15-18-25-56(38)68-58(39)50/h15-33H,34-35H2,1-14H3
• InChIKey: FRUTXTMSXWNHFU-UHFFFAOYSA-N
• XLogP: 15.17
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	889.05
LogP ≤ 5	15.17
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 11-dibenzofuran-4-yl-5,5,7,7,14,21,21,23,23-nonamethyl-17-(3,9,9,10,10-pentamethylanthracen-2-yl)-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2,4(8),9,12(27),13,15,18,20(24),25-nonaene?

The IUPAC name of 11-dibenzofuran-4-yl-5,5,7,7,14,21,21,23,23-nonamethyl-17-(3,9,9,10,10-pentamethylanthracen-2-yl)-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2,4(8),9,12(27),13,15,18,20(24),25-nonaene (CID 167391721) is 11-dibenzofuran-4-yl-5,5,7,7,14,21,21,23,23-nonamethyl-17-(3,9,9,10,10-pentamethylanthracen-2-yl)-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2,4(8),9,12(27),13,15,18,20(24),25-nonaene.

What is the SMILES notation for 11-dibenzofuran-4-yl-5,5,7,7,14,21,21,23,23-nonamethyl-17-(3,9,9,10,10-pentamethylanthracen-2-yl)-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2,4(8),9,12(27),13,15,18,20(24),25-nonaene?

The canonical SMILES for 11-dibenzofuran-4-yl-5,5,7,7,14,21,21,23,23-nonamethyl-17-(3,9,9,10,10-pentamethylanthracen-2-yl)-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2,4(8),9,12(27),13,15,18,20(24),25-nonaene is Cc1cc2c3c(c1)N(c1cccc4c1oc1ccccc14)c1cc4c(cc1B3c1cc3c(cc1N2c1cc2c(cc1C)C(C)(C)c1ccccc1C2(C)C)C(C)(C)CC3(C)C)C(C)(C)CC4(C)C.

What is the InChIKey of 11-dibenzofuran-4-yl-5,5,7,7,14,21,21,23,23-nonamethyl-17-(3,9,9,10,10-pentamethylanthracen-2-yl)-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2,4(8),9,12(27),13,15,18,20(24),25-nonaene?

The InChIKey is FRUTXTMSXWNHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H65BN2O/c1-36-26-54-57-55(27-36)67(51-33-47-46(28-37(51)2)63(11,12)40-22-16-17-23-41(40)64(47,13)14)53-32-45-43(60(5,6)35-62(45,9)10)30-49(53)65(57)48-29-42-44(61(7,8)34-59(42,3)4)31-52(48)66(54)50-24-19-21-39-38-20-15-18-25-56(38)68-58(39)50/h15-33H,34-35H2,1-14H3.

What are the key properties of 11-dibenzofuran-4-yl-5,5,7,7,14,21,21,23,23-nonamethyl-17-(3,9,9,10,10-pentamethylanthracen-2-yl)-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2,4(8),9,12(27),13,15,18,20(24),25-nonaene?

11-dibenzofuran-4-yl-5,5,7,7,14,21,21,23,23-nonamethyl-17-(3,9,9,10,10-pentamethylanthracen-2-yl)-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2,4(8),9,12(27),13,15,18,20(24),25-nonaene has a molecular weight of 889.05 g/mol, XLogP of 15.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 11-dibenzofuran-4-yl-5,5,7,7,14,21,21,23,23-nonamethyl-17-(3,9,9,10,10-pentamethylanthracen-2-yl)-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2,4(8),9,12(27),13,15,18,20(24),25-nonaene is sourced from PubChem (CID 167391721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).