18-(9,9-dimethylacridin-10-yl)-12,12,30-trimethyl-2-(4-methylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.06,11.016,33.020,25.026,34.027,32]tetratriaconta-3,5(13),6,8,10,14,16,18,20,22,24,27(32),28,30,33-pentadecaene

C56H44BN3 — CID 174114132

About 18-(9,9-dimethylacridin-10-yl)-12,12,30-trimethyl-2-(4-methylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.06,11.016,33.020,25.026,34.027,32]tetratriaconta-3,5(13),6,8,10,14,16,18,20,22,24,27(32),28,30,33-pentadecaene

18-(9,9-dimethylacridin-10-yl)-12,12,30-trimethyl-2-(4-methylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.06,11.016,33.020,25.026,34.027,32]tetratriaconta-3,5(13),6,8,10,14,16,18,20,22,24,27(32),28,30,33-pentadecaene (PubChem CID 174114132) has the molecular formula C56H44BN3 and a molecular weight of 769.80 g/mol. Its IUPAC name is 18-(9,9-dimethylacridin-10-yl)-12,12,30-trimethyl-2-(4-methylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.06,11.016,33.020,25.026,34.027,32]tetratriaconta-3,5(13),6,8,10,14,16,18,20,22,24,27(32),28,30,33-pentadecaene.

Molecular Properties

• Compound Name: 18-(9,9-dimethylacridin-10-yl)-12,12,30-trimethyl-2-(4-methylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.06,11.016,33.020,25.026,34.027,32]tetratriaconta-3,5(13),6,8,10,14,16,18,20,22,24,27(32),28,30,33-pentadecaene
• PubChem CID: 174114132
• Molecular Formula: C56H44BN3
• Molecular Weight: 769.80 g/mol
• Exact Mass: 769.36
• IUPAC Name: 18-(9,9-dimethylacridin-10-yl)-12,12,30-trimethyl-2-(4-methylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.06,11.016,33.020,25.026,34.027,32]tetratriaconta-3,5(13),6,8,10,14,16,18,20,22,24,27(32),28,30,33-pentadecaene
• SMILES: Cc1ccc(N2B3c4cc(C)ccc4-n4c5ccccc5c5c(N6c7ccccc7C(C)(C)c7ccccc76)cc(c3c54)-c3cc4c(cc32)-c2ccccc2C4(C)C)cc1
• InChI: InChI=1S/C56H44BN3/c1-33-23-26-35(27-24-33)60-50-31-38-36-15-7-9-17-41(36)55(3,4)44(38)30-39(50)40-32-51(58-47-21-13-10-18-42(47)56(5,6)43-19-11-14-22-48(43)58)52-37-16-8-12-20-46(37)59-49-28-25-34(2)29-45(49)57(60)53(40)54(52)59/h7-32H,1-6H3
• InChIKey: CGTQNXPWZGPHFX-UHFFFAOYSA-N
• XLogP: 13.05
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.80
LogP ≤ 5	13.05
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 18-(9,9-dimethylacridin-10-yl)-12,12,30-trimethyl-2-(4-methylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.06,11.016,33.020,25.026,34.027,32]tetratriaconta-3,5(13),6,8,10,14,16,18,20,22,24,27(32),28,30,33-pentadecaene?

The IUPAC name of 18-(9,9-dimethylacridin-10-yl)-12,12,30-trimethyl-2-(4-methylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.06,11.016,33.020,25.026,34.027,32]tetratriaconta-3,5(13),6,8,10,14,16,18,20,22,24,27(32),28,30,33-pentadecaene (CID 174114132) is 18-(9,9-dimethylacridin-10-yl)-12,12,30-trimethyl-2-(4-methylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.06,11.016,33.020,25.026,34.027,32]tetratriaconta-3,5(13),6,8,10,14,16,18,20,22,24,27(32),28,30,33-pentadecaene.

What is the SMILES notation for 18-(9,9-dimethylacridin-10-yl)-12,12,30-trimethyl-2-(4-methylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.06,11.016,33.020,25.026,34.027,32]tetratriaconta-3,5(13),6,8,10,14,16,18,20,22,24,27(32),28,30,33-pentadecaene?

The canonical SMILES for 18-(9,9-dimethylacridin-10-yl)-12,12,30-trimethyl-2-(4-methylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.06,11.016,33.020,25.026,34.027,32]tetratriaconta-3,5(13),6,8,10,14,16,18,20,22,24,27(32),28,30,33-pentadecaene is Cc1ccc(N2B3c4cc(C)ccc4-n4c5ccccc5c5c(N6c7ccccc7C(C)(C)c7ccccc76)cc(c3c54)-c3cc4c(cc32)-c2ccccc2C4(C)C)cc1.

What is the InChIKey of 18-(9,9-dimethylacridin-10-yl)-12,12,30-trimethyl-2-(4-methylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.06,11.016,33.020,25.026,34.027,32]tetratriaconta-3,5(13),6,8,10,14,16,18,20,22,24,27(32),28,30,33-pentadecaene?

The InChIKey is CGTQNXPWZGPHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44BN3/c1-33-23-26-35(27-24-33)60-50-31-38-36-15-7-9-17-41(36)55(3,4)44(38)30-39(50)40-32-51(58-47-21-13-10-18-42(47)56(5,6)43-19-11-14-22-48(43)58)52-37-16-8-12-20-46(37)59-49-28-25-34(2)29-45(49)57(60)53(40)54(52)59/h7-32H,1-6H3.

What are the key properties of 18-(9,9-dimethylacridin-10-yl)-12,12,30-trimethyl-2-(4-methylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.06,11.016,33.020,25.026,34.027,32]tetratriaconta-3,5(13),6,8,10,14,16,18,20,22,24,27(32),28,30,33-pentadecaene?

18-(9,9-dimethylacridin-10-yl)-12,12,30-trimethyl-2-(4-methylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.06,11.016,33.020,25.026,34.027,32]tetratriaconta-3,5(13),6,8,10,14,16,18,20,22,24,27(32),28,30,33-pentadecaene has a molecular weight of 769.80 g/mol, XLogP of 13.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 18-(9,9-dimethylacridin-10-yl)-12,12,30-trimethyl-2-(4-methylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.06,11.016,33.020,25.026,34.027,32]tetratriaconta-3,5(13),6,8,10,14,16,18,20,22,24,27(32),28,30,33-pentadecaene is sourced from PubChem (CID 174114132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).