17-(9,9-dimethylfluoren-2-yl)-5,5,7,7,14,21,21,24,24-nonamethyl-11-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-11,17-diaza-1-boraheptacyclo[14.11.1.02,10.04,8.012,28.018,27.020,25]octacosa-2,4(8),9,12,14,16(28),18,20(25),26-nonaene

C64H73BN2 — CID 167393845

About 17-(9,9-dimethylfluoren-2-yl)-5,5,7,7,14,21,21,24,24-nonamethyl-11-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-11,17-diaza-1-boraheptacyclo[14.11.1.02,10.04,8.012,28.018,27.020,25]octacosa-2,4(8),9,12,14,16(28),18,20(25),26-nonaene

17-(9,9-dimethylfluoren-2-yl)-5,5,7,7,14,21,21,24,24-nonamethyl-11-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-11,17-diaza-1-boraheptacyclo[14.11.1.02,10.04,8.012,28.018,27.020,25]octacosa-2,4(8),9,12,14,16(28),18,20(25),26-nonaene (PubChem CID 167393845) has the molecular formula C64H73BN2 and a molecular weight of 881.11 g/mol. Its IUPAC name is 17-(9,9-dimethylfluoren-2-yl)-5,5,7,7,14,21,21,24,24-nonamethyl-11-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-11,17-diaza-1-boraheptacyclo[14.11.1.02,10.04,8.012,28.018,27.020,25]octacosa-2,4(8),9,12,14,16(28),18,20(25),26-nonaene.

Molecular Properties

• Compound Name: 17-(9,9-dimethylfluoren-2-yl)-5,5,7,7,14,21,21,24,24-nonamethyl-11-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-11,17-diaza-1-boraheptacyclo[14.11.1.02,10.04,8.012,28.018,27.020,25]octacosa-2,4(8),9,12,14,16(28),18,20(25),26-nonaene
• PubChem CID: 167393845
• Molecular Formula: C64H73BN2
• Molecular Weight: 881.11 g/mol
• Exact Mass: 880.59
• IUPAC Name: 17-(9,9-dimethylfluoren-2-yl)-5,5,7,7,14,21,21,24,24-nonamethyl-11-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-11,17-diaza-1-boraheptacyclo[14.11.1.02,10.04,8.012,28.018,27.020,25]octacosa-2,4(8),9,12,14,16(28),18,20(25),26-nonaene
• SMILES: Cc1cc2c3c(c1)N(c1cc4c(cc1C)C(C)(C)CCC4(C)C)c1cc4c(cc1B3c1cc3c(cc1N2c1ccc2c(c1)C(C)(C)c1ccccc1-2)C(C)(C)CCC3(C)C)C(C)(C)CC4(C)C
• InChI: InChI=1S/C64H73BN2/c1-37-27-55-57-56(28-37)67(52-33-47-44(29-38(52)2)58(3,4)23-25-60(47,7)8)54-35-49-46(62(11,12)36-63(49,13)14)32-51(54)65(57)50-31-45-48(61(9,10)26-24-59(45,5)6)34-53(50)66(55)39-21-22-41-40-19-17-18-20-42(40)64(15,16)43(41)30-39/h17-22,27-35H,23-26,36H2,1-16H3
• InChIKey: MNMWJKSOTFUZIQ-UHFFFAOYSA-N
• XLogP: 15.35
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	881.11
LogP ≤ 5	15.35
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 17-(9,9-dimethylfluoren-2-yl)-5,5,7,7,14,21,21,24,24-nonamethyl-11-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-11,17-diaza-1-boraheptacyclo[14.11.1.02,10.04,8.012,28.018,27.020,25]octacosa-2,4(8),9,12,14,16(28),18,20(25),26-nonaene?

The IUPAC name of 17-(9,9-dimethylfluoren-2-yl)-5,5,7,7,14,21,21,24,24-nonamethyl-11-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-11,17-diaza-1-boraheptacyclo[14.11.1.02,10.04,8.012,28.018,27.020,25]octacosa-2,4(8),9,12,14,16(28),18,20(25),26-nonaene (CID 167393845) is 17-(9,9-dimethylfluoren-2-yl)-5,5,7,7,14,21,21,24,24-nonamethyl-11-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-11,17-diaza-1-boraheptacyclo[14.11.1.02,10.04,8.012,28.018,27.020,25]octacosa-2,4(8),9,12,14,16(28),18,20(25),26-nonaene.

What is the SMILES notation for 17-(9,9-dimethylfluoren-2-yl)-5,5,7,7,14,21,21,24,24-nonamethyl-11-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-11,17-diaza-1-boraheptacyclo[14.11.1.02,10.04,8.012,28.018,27.020,25]octacosa-2,4(8),9,12,14,16(28),18,20(25),26-nonaene?

The canonical SMILES for 17-(9,9-dimethylfluoren-2-yl)-5,5,7,7,14,21,21,24,24-nonamethyl-11-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-11,17-diaza-1-boraheptacyclo[14.11.1.02,10.04,8.012,28.018,27.020,25]octacosa-2,4(8),9,12,14,16(28),18,20(25),26-nonaene is Cc1cc2c3c(c1)N(c1cc4c(cc1C)C(C)(C)CCC4(C)C)c1cc4c(cc1B3c1cc3c(cc1N2c1ccc2c(c1)C(C)(C)c1ccccc1-2)C(C)(C)CCC3(C)C)C(C)(C)CC4(C)C.

What is the InChIKey of 17-(9,9-dimethylfluoren-2-yl)-5,5,7,7,14,21,21,24,24-nonamethyl-11-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-11,17-diaza-1-boraheptacyclo[14.11.1.02,10.04,8.012,28.018,27.020,25]octacosa-2,4(8),9,12,14,16(28),18,20(25),26-nonaene?

The InChIKey is MNMWJKSOTFUZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H73BN2/c1-37-27-55-57-56(28-37)67(52-33-47-44(29-38(52)2)58(3,4)23-25-60(47,7)8)54-35-49-46(62(11,12)36-63(49,13)14)32-51(54)65(57)50-31-45-48(61(9,10)26-24-59(45,5)6)34-53(50)66(55)39-21-22-41-40-19-17-18-20-42(40)64(15,16)43(41)30-39/h17-22,27-35H,23-26,36H2,1-16H3.

What are the key properties of 17-(9,9-dimethylfluoren-2-yl)-5,5,7,7,14,21,21,24,24-nonamethyl-11-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-11,17-diaza-1-boraheptacyclo[14.11.1.02,10.04,8.012,28.018,27.020,25]octacosa-2,4(8),9,12,14,16(28),18,20(25),26-nonaene?

17-(9,9-dimethylfluoren-2-yl)-5,5,7,7,14,21,21,24,24-nonamethyl-11-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-11,17-diaza-1-boraheptacyclo[14.11.1.02,10.04,8.012,28.018,27.020,25]octacosa-2,4(8),9,12,14,16(28),18,20(25),26-nonaene has a molecular weight of 881.11 g/mol, XLogP of 15.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 17-(9,9-dimethylfluoren-2-yl)-5,5,7,7,14,21,21,24,24-nonamethyl-11-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-11,17-diaza-1-boraheptacyclo[14.11.1.02,10.04,8.012,28.018,27.020,25]octacosa-2,4(8),9,12,14,16(28),18,20(25),26-nonaene is sourced from PubChem (CID 167393845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).