11-methyl-2-[10-(11-methylbenzo[b][1]benzazepin-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]benzo[b][1]benzazepine

C54H50N4 — CID 59220517

IUPAC11-methyl-2-[10-(11-methylbenzo[b][1]benzazepin-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]benzo[b][1]benzazepine
SMILESCN1c2ccccc2C=Cc2ccc(-c3c4ccc(N5CCCCC5)cc4c(-c4ccc5c(c4)N(C)c4ccccc4C=C5)c4ccc(N5CCCCC5)cc34)cc21
InChIInChI=1S/C54H50N4/c1-55-49-15-7-5-13-37(49)17-19-39-21-23-41(33-51(39)55)53-45-27-25-44(58-31-11-4-12-32-58)36-48(45)54(46-28-26-43(35-47(46)53)57-29-9-3-10-30-57)42-24-22-40-20-18-38-14-6-8-16-50(38)56(2)52(40)34-42/h5-8,13-28,33-36H,3-4,9-12,29-32H2,1-2H3
InChIKeyQGWCSFPKTUTJDJ-UHFFFAOYSA-N
MW755.02 g/mol
LogP13.81
Rot. Bonds4

About 11-methyl-2-[10-(11-methylbenzo[b][1]benzazepin-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]benzo[b][1]benzazepine

11-methyl-2-[10-(11-methylbenzo[b][1]benzazepin-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]benzo[b][1]benzazepine (PubChem CID 59220517) has the molecular formula C54H50N4 and a molecular weight of 755.02 g/mol. Its IUPAC name is 11-methyl-2-[10-(11-methylbenzo[b][1]benzazepin-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]benzo[b][1]benzazepine.

Molecular Properties

Compound Name11-methyl-2-[10-(11-methylbenzo[b][1]benzazepin-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]benzo[b][1]benzazepine
PubChem CID59220517
Molecular FormulaC54H50N4
Molecular Weight755.02 g/mol
Exact Mass754.40
IUPAC Name11-methyl-2-[10-(11-methylbenzo[b][1]benzazepin-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]benzo[b][1]benzazepine
SMILESCN1c2ccccc2C=Cc2ccc(-c3c4ccc(N5CCCCC5)cc4c(-c4ccc5c(c4)N(C)c4ccccc4C=C5)c4ccc(N5CCCCC5)cc34)cc21
InChIInChI=1S/C54H50N4/c1-55-49-15-7-5-13-37(49)17-19-39-21-23-41(33-51(39)55)53-45-27-25-44(58-31-11-4-12-32-58)36-48(45)54(46-28-26-43(35-47(46)53)57-29-9-3-10-30-57)42-24-22-40-20-18-38-14-6-8-16-50(38)56(2)52(40)34-42/h5-8,13-28,33-36H,3-4,9-12,29-32H2,1-2H3
InChIKeyQGWCSFPKTUTJDJ-UHFFFAOYSA-N
XLogP13.81
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.02
LogP ≤ 513.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 11-methyl-2-[10-(11-methylbenzo[b][1]benzazepin-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]benzo[b][1]benzazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-methyl-3-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine
CID 59219557
1-[9-phenyl-10-(6-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine
CID 59219481
1-[9-(7,8-dihydronaphthalen-2-yl)-10-(4-phenylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine
CID 89111153
2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-11-methylbenzo[b][1]benzazepine
CID 59195488
1-[9-phenyl-10-(3-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine
CID 59220156
1-[9-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-10-phenyl-6-piperidin-1-ylanthracen-2-yl]piperidine
CID 59219954
10-[10-phenyl-2,6-di(piperidin-1-yl)anthracen-9-yl]-9H-acridine
CID 59219843
1-[9-naphthalen-2-yl-10-(6-naphthalen-1-ylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine
CID 59219664
1-(9-fluoranthen-3-yl-10-naphthalen-2-yl-6-piperidin-1-ylanthracen-2-yl)piperidine
CID 59219893
9-methyl-3-pyrrolidin-1-ylcarbazole
CID 123822276
5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-phenylanthracen-2-yl]phenazine
CID 59220247
1-[9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine;1-[9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine;1-[9-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine;1-[9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine
CID 158579064

Frequently Asked Questions

What is the IUPAC name of 11-methyl-2-[10-(11-methylbenzo[b][1]benzazepin-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]benzo[b][1]benzazepine?
The IUPAC name of 11-methyl-2-[10-(11-methylbenzo[b][1]benzazepin-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]benzo[b][1]benzazepine (CID 59220517) is 11-methyl-2-[10-(11-methylbenzo[b][1]benzazepin-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]benzo[b][1]benzazepine.
What is the SMILES notation for 11-methyl-2-[10-(11-methylbenzo[b][1]benzazepin-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]benzo[b][1]benzazepine?
The canonical SMILES for 11-methyl-2-[10-(11-methylbenzo[b][1]benzazepin-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]benzo[b][1]benzazepine is CN1c2ccccc2C=Cc2ccc(-c3c4ccc(N5CCCCC5)cc4c(-c4ccc5c(c4)N(C)c4ccccc4C=C5)c4ccc(N5CCCCC5)cc34)cc21.
What is the InChIKey of 11-methyl-2-[10-(11-methylbenzo[b][1]benzazepin-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]benzo[b][1]benzazepine?
The InChIKey is QGWCSFPKTUTJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H50N4/c1-55-49-15-7-5-13-37(49)17-19-39-21-23-41(33-51(39)55)53-45-27-25-44(58-31-11-4-12-32-58)36-48(45)54(46-28-26-43(35-47(46)53)57-29-9-3-10-30-57)42-24-22-40-20-18-38-14-6-8-16-50(38)56(2)52(40)34-42/h5-8,13-28,33-36H,3-4,9-12,29-32H2,1-2H3.
What are the key properties of 11-methyl-2-[10-(11-methylbenzo[b][1]benzazepin-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]benzo[b][1]benzazepine?
11-methyl-2-[10-(11-methylbenzo[b][1]benzazepin-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]benzo[b][1]benzazepine has a molecular weight of 755.02 g/mol, XLogP of 13.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-2-[10-(11-methylbenzo[b][1]benzazepin-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]benzo[b][1]benzazepine is sourced from PubChem (CID 59220517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).