11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine

C68H48N2 — CID 59220351

About 11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine

11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine (PubChem CID 59220351) has the molecular formula C68H48N2 and a molecular weight of 893.15 g/mol. Its IUPAC name is 11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine.

Molecular Properties

• Compound Name: 11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
• PubChem CID: 59220351
• Molecular Formula: C68H48N2
• Molecular Weight: 893.15 g/mol
• Exact Mass: 892.38
• IUPAC Name: 11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
• SMILES: c1cc(-c2cccc3ccccc23)cc(-c2c3cc(N4c5ccccc5CCc5ccccc54)ccc3c(-c3cccc4ccccc34)c3cc(N4c5ccccc5CCc5ccccc54)ccc23)c1
• InChI: InChI=1S/C68H48N2/c1-7-26-55-45(16-1)22-14-28-57(55)51-24-13-25-52(42-51)67-59-40-38-54(70-65-32-11-5-20-49(65)36-37-50-21-6-12-33-66(50)70)44-62(59)68(58-29-15-23-46-17-2-8-27-56(46)58)60-41-39-53(43-61(60)67)69-63-30-9-3-18-47(63)34-35-48-19-4-10-31-64(48)69/h1-33,38-44H,34-37H2
• InChIKey: SZEVQVIOJAIPRZ-UHFFFAOYSA-N
• XLogP: 18.44
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	893.15
LogP ≤ 5	18.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine?

The IUPAC name of 11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine (CID 59220351) is 11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine.

What is the SMILES notation for 11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine?

The canonical SMILES for 11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine is c1cc(-c2cccc3ccccc23)cc(-c2c3cc(N4c5ccccc5CCc5ccccc54)ccc3c(-c3cccc4ccccc34)c3cc(N4c5ccccc5CCc5ccccc54)ccc23)c1.

What is the InChIKey of 11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine?

The InChIKey is SZEVQVIOJAIPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H48N2/c1-7-26-55-45(16-1)22-14-28-57(55)51-24-13-25-52(42-51)67-59-40-38-54(70-65-32-11-5-20-49(65)36-37-50-21-6-12-33-66(50)70)44-62(59)68(58-29-15-23-46-17-2-8-27-56(46)58)60-41-39-53(43-61(60)67)69-63-30-9-3-18-47(63)34-35-48-19-4-10-31-64(48)69/h1-33,38-44H,34-37H2.

What are the key properties of 11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine?

11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine has a molecular weight of 893.15 g/mol, XLogP of 18.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine is sourced from PubChem (CID 59220351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).