18-(9,9-dimethylfluoren-3-yl)-6,6,30-trimethyl-2-(4-methylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.07,12.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4,7,9,11,13,16,18,20,22,24,27(32),28,30,33-pentadecaene

C56H43BN2 — CID 174114415

About 18-(9,9-dimethylfluoren-3-yl)-6,6,30-trimethyl-2-(4-methylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.07,12.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4,7,9,11,13,16,18,20,22,24,27(32),28,30,33-pentadecaene

18-(9,9-dimethylfluoren-3-yl)-6,6,30-trimethyl-2-(4-methylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.07,12.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4,7,9,11,13,16,18,20,22,24,27(32),28,30,33-pentadecaene (PubChem CID 174114415) has the molecular formula C56H43BN2 and a molecular weight of 754.79 g/mol. Its IUPAC name is 18-(9,9-dimethylfluoren-3-yl)-6,6,30-trimethyl-2-(4-methylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.07,12.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4,7,9,11,13,16,18,20,22,24,27(32),28,30,33-pentadecaene.

Molecular Properties

• Compound Name: 18-(9,9-dimethylfluoren-3-yl)-6,6,30-trimethyl-2-(4-methylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.07,12.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4,7,9,11,13,16,18,20,22,24,27(32),28,30,33-pentadecaene
• PubChem CID: 174114415
• Molecular Formula: C56H43BN2
• Molecular Weight: 754.79 g/mol
• Exact Mass: 754.35
• IUPAC Name: 18-(9,9-dimethylfluoren-3-yl)-6,6,30-trimethyl-2-(4-methylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.07,12.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4,7,9,11,13,16,18,20,22,24,27(32),28,30,33-pentadecaene
• SMILES: Cc1ccc(N2B3c4cc(C)ccc4-n4c5ccccc5c5c(-c6ccc7c(c6)-c6ccccc6C7(C)C)cc(c3c54)-c3cc4c(cc32)C(C)(C)c2ccccc2-4)cc1
• InChI: InChI=1S/C56H43BN2/c1-32-19-23-35(24-20-32)59-51-31-47-41(37-14-8-11-17-45(37)56(47,5)6)30-42(51)43-29-39(34-22-25-46-40(28-34)36-13-7-10-16-44(36)55(46,3)4)52-38-15-9-12-18-49(38)58-50-26-21-33(2)27-48(50)57(59)53(43)54(52)58/h7-31H,1-6H3
• InChIKey: XWTGGNBZNBWWDP-UHFFFAOYSA-N
• XLogP: 12.92
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	754.79
LogP ≤ 5	12.92
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 18-(9,9-dimethylfluoren-3-yl)-6,6,30-trimethyl-2-(4-methylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.07,12.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4,7,9,11,13,16,18,20,22,24,27(32),28,30,33-pentadecaene?

The IUPAC name of 18-(9,9-dimethylfluoren-3-yl)-6,6,30-trimethyl-2-(4-methylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.07,12.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4,7,9,11,13,16,18,20,22,24,27(32),28,30,33-pentadecaene (CID 174114415) is 18-(9,9-dimethylfluoren-3-yl)-6,6,30-trimethyl-2-(4-methylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.07,12.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4,7,9,11,13,16,18,20,22,24,27(32),28,30,33-pentadecaene.

What is the SMILES notation for 18-(9,9-dimethylfluoren-3-yl)-6,6,30-trimethyl-2-(4-methylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.07,12.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4,7,9,11,13,16,18,20,22,24,27(32),28,30,33-pentadecaene?

The canonical SMILES for 18-(9,9-dimethylfluoren-3-yl)-6,6,30-trimethyl-2-(4-methylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.07,12.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4,7,9,11,13,16,18,20,22,24,27(32),28,30,33-pentadecaene is Cc1ccc(N2B3c4cc(C)ccc4-n4c5ccccc5c5c(-c6ccc7c(c6)-c6ccccc6C7(C)C)cc(c3c54)-c3cc4c(cc32)C(C)(C)c2ccccc2-4)cc1.

What is the InChIKey of 18-(9,9-dimethylfluoren-3-yl)-6,6,30-trimethyl-2-(4-methylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.07,12.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4,7,9,11,13,16,18,20,22,24,27(32),28,30,33-pentadecaene?

The InChIKey is XWTGGNBZNBWWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H43BN2/c1-32-19-23-35(24-20-32)59-51-31-47-41(37-14-8-11-17-45(37)56(47,5)6)30-42(51)43-29-39(34-22-25-46-40(28-34)36-13-7-10-16-44(36)55(46,3)4)52-38-15-9-12-18-49(38)58-50-26-21-33(2)27-48(50)57(59)53(43)54(52)58/h7-31H,1-6H3.

What are the key properties of 18-(9,9-dimethylfluoren-3-yl)-6,6,30-trimethyl-2-(4-methylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.07,12.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4,7,9,11,13,16,18,20,22,24,27(32),28,30,33-pentadecaene?

18-(9,9-dimethylfluoren-3-yl)-6,6,30-trimethyl-2-(4-methylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.07,12.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4,7,9,11,13,16,18,20,22,24,27(32),28,30,33-pentadecaene has a molecular weight of 754.79 g/mol, XLogP of 12.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 18-(9,9-dimethylfluoren-3-yl)-6,6,30-trimethyl-2-(4-methylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.07,12.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4,7,9,11,13,16,18,20,22,24,27(32),28,30,33-pentadecaene is sourced from PubChem (CID 174114415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).