11-cyclohexyl-8-[4-(9,9-dimethylacridin-10-yl)phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

C51H44BN3 — CID 149496865

About 11-cyclohexyl-8-[4-(9,9-dimethylacridin-10-yl)phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

11-cyclohexyl-8-[4-(9,9-dimethylacridin-10-yl)phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (PubChem CID 149496865) has the molecular formula C51H44BN3 and a molecular weight of 709.75 g/mol. Its IUPAC name is 11-cyclohexyl-8-[4-(9,9-dimethylacridin-10-yl)phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.

Molecular Properties

• Compound Name: 11-cyclohexyl-8-[4-(9,9-dimethylacridin-10-yl)phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
• PubChem CID: 149496865
• Molecular Formula: C51H44BN3
• Molecular Weight: 709.75 g/mol
• Exact Mass: 709.36
• IUPAC Name: 11-cyclohexyl-8-[4-(9,9-dimethylacridin-10-yl)phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
• SMILES: CC1(C)c2ccccc2N(c2ccc(N3c4ccccc4B4c5ccccc5N(c5ccccc5)c5cc(C6CCCCC6)cc3c54)cc2)c2ccccc21
• InChI: InChI=1S/C51H44BN3/c1-51(2)40-21-9-13-25-44(40)53(45-26-14-10-22-41(45)51)38-29-31-39(32-30-38)55-47-28-16-12-24-43(47)52-42-23-11-15-27-46(42)54(37-19-7-4-8-20-37)48-33-36(34-49(55)50(48)52)35-17-5-3-6-18-35/h4,7-16,19-35H,3,5-6,17-18H2,1-2H3
• InChIKey: ZGFAZXUYIMVQFI-UHFFFAOYSA-N
• XLogP: 11.93
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	709.75
LogP ≤ 5	11.93
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-cyclohexyl-8-[4-(9,9-dimethylacridin-10-yl)phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The IUPAC name of 11-cyclohexyl-8-[4-(9,9-dimethylacridin-10-yl)phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (CID 149496865) is 11-cyclohexyl-8-[4-(9,9-dimethylacridin-10-yl)phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.

What is the SMILES notation for 11-cyclohexyl-8-[4-(9,9-dimethylacridin-10-yl)phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The canonical SMILES for 11-cyclohexyl-8-[4-(9,9-dimethylacridin-10-yl)phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is CC1(C)c2ccccc2N(c2ccc(N3c4ccccc4B4c5ccccc5N(c5ccccc5)c5cc(C6CCCCC6)cc3c54)cc2)c2ccccc21.

What is the InChIKey of 11-cyclohexyl-8-[4-(9,9-dimethylacridin-10-yl)phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The InChIKey is ZGFAZXUYIMVQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H44BN3/c1-51(2)40-21-9-13-25-44(40)53(45-26-14-10-22-41(45)51)38-29-31-39(32-30-38)55-47-28-16-12-24-43(47)52-42-23-11-15-27-46(42)54(37-19-7-4-8-20-37)48-33-36(34-49(55)50(48)52)35-17-5-3-6-18-35/h4,7-16,19-35H,3,5-6,17-18H2,1-2H3.

What are the key properties of 11-cyclohexyl-8-[4-(9,9-dimethylacridin-10-yl)phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

11-cyclohexyl-8-[4-(9,9-dimethylacridin-10-yl)phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene has a molecular weight of 709.75 g/mol, XLogP of 11.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 11-cyclohexyl-8-[4-(9,9-dimethylacridin-10-yl)phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 149496865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).