11-[7-[(E)-2-[10-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)anthracen-9-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-5,6-dihydrobenzo[b][1]benzazepine

C69H50N2 — CID 143984146

IUPAC11-[7-[(E)-2-[10-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)anthracen-9-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
SMILESC(=C/c1c2ccccc2c(N2c3ccccc3CCc3ccccc32)c2ccccc12)\c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N3c4ccccc4CCc4ccccc43)ccc1-2
InChIInChI=1S/C69H50N2/c1-3-23-52(24-4-1)69(53-25-5-2-6-26-53)62-45-47(36-43-58(62)59-44-41-54(46-63(59)69)70-64-31-15-7-19-48(64)37-38-49-20-8-16-32-65(49)70)35-42-57-55-27-11-13-29-60(55)68(61-30-14-12-28-56(57)61)71-66-33-17-9-21-50(66)39-40-51-22-10-18-34-67(51)71/h1-36,41-46H,37-40H2/b42-35+
InChIKeyLXEBHFJXCLBOLO-CSOVRXNHSA-N
MW907.17 g/mol
LogP17.66
Rot. Bonds6

About 11-[7-[(E)-2-[10-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)anthracen-9-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-5,6-dihydrobenzo[b][1]benzazepine

11-[7-[(E)-2-[10-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)anthracen-9-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-5,6-dihydrobenzo[b][1]benzazepine (PubChem CID 143984146) has the molecular formula C69H50N2 and a molecular weight of 907.17 g/mol. Its IUPAC name is 11-[7-[(E)-2-[10-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)anthracen-9-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-5,6-dihydrobenzo[b][1]benzazepine.

Molecular Properties

Compound Name11-[7-[(E)-2-[10-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)anthracen-9-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
PubChem CID143984146
Molecular FormulaC69H50N2
Molecular Weight907.17 g/mol
Exact Mass906.40
IUPAC Name11-[7-[(E)-2-[10-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)anthracen-9-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
SMILESC(=C/c1c2ccccc2c(N2c3ccccc3CCc3ccccc32)c2ccccc12)\c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N3c4ccccc4CCc4ccccc43)ccc1-2
InChIInChI=1S/C69H50N2/c1-3-23-52(24-4-1)69(53-25-5-2-6-26-53)62-45-47(36-43-58(62)59-44-41-54(46-63(59)69)70-64-31-15-7-19-48(64)37-38-49-20-8-16-32-65(49)70)35-42-57-55-27-11-13-29-60(55)68(61-30-14-12-28-56(57)61)71-66-33-17-9-21-50(66)39-40-51-22-10-18-34-67(51)71/h1-36,41-46H,37-40H2/b42-35+
InChIKeyLXEBHFJXCLBOLO-CSOVRXNHSA-N
XLogP17.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.17
LogP ≤ 517.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 11-[7-[(E)-2-[10-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)anthracen-9-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-5,6-dihydrobenzo[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-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]phenanthren-2-yl]-9H-acridine
CID 90962170
10-[10-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenylfluoren-2-yl]ethenyl]anthracen-9-yl]phenothiazine
CID 89071688
10-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenothiazine
CID 91109293
11-[7-[2-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]benzo[b][1]benzazepine
CID 90788530
10-[7-[(E)-2-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]phenothiazine
CID 89071852
11-[7-[(E)-2-[5-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)naphthalen-1-yl]ethenyl]-9,9-dimethylfluoren-2-yl]benzo[b][1]benzazepine
CID 143984325
1-[6-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]pyren-1-yl]-3,4-dihydro-2H-quinoline
CID 89071913
10-[4-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9,9-dimethylacridine
CID 91237807
10-[4-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]-9H-acridine
CID 89070887
5-[10-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-7-methyl-9-(2-methylphenyl)-9-phenyl-8H-fluoren-2-yl]ethenyl]anthracen-9-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]
CID 91614021
11-[7-[(E)-2-[4-[4-(9,9-dimethylacridin-10-yl)-2-methylphenyl]-3-ethylphenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 89071496
1-[7-[(E)-2-[2-ethenyl-3,3-diphenyl-1-[(Z)-prop-1-enyl]inden-5-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-3,4-dihydro-2H-quinoline
CID 89071530

Frequently Asked Questions

What is the IUPAC name of 11-[7-[(E)-2-[10-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)anthracen-9-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-5,6-dihydrobenzo[b][1]benzazepine?
The IUPAC name of 11-[7-[(E)-2-[10-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)anthracen-9-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-5,6-dihydrobenzo[b][1]benzazepine (CID 143984146) is 11-[7-[(E)-2-[10-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)anthracen-9-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-5,6-dihydrobenzo[b][1]benzazepine.
What is the SMILES notation for 11-[7-[(E)-2-[10-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)anthracen-9-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-5,6-dihydrobenzo[b][1]benzazepine?
The canonical SMILES for 11-[7-[(E)-2-[10-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)anthracen-9-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-5,6-dihydrobenzo[b][1]benzazepine is C(=C/c1c2ccccc2c(N2c3ccccc3CCc3ccccc32)c2ccccc12)\c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N3c4ccccc4CCc4ccccc43)ccc1-2.
What is the InChIKey of 11-[7-[(E)-2-[10-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)anthracen-9-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-5,6-dihydrobenzo[b][1]benzazepine?
The InChIKey is LXEBHFJXCLBOLO-CSOVRXNHSA-N. The full InChI is InChI=1S/C69H50N2/c1-3-23-52(24-4-1)69(53-25-5-2-6-26-53)62-45-47(36-43-58(62)59-44-41-54(46-63(59)69)70-64-31-15-7-19-48(64)37-38-49-20-8-16-32-65(49)70)35-42-57-55-27-11-13-29-60(55)68(61-30-14-12-28-56(57)61)71-66-33-17-9-21-50(66)39-40-51-22-10-18-34-67(51)71/h1-36,41-46H,37-40H2/b42-35+.
What are the key properties of 11-[7-[(E)-2-[10-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)anthracen-9-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-5,6-dihydrobenzo[b][1]benzazepine?
11-[7-[(E)-2-[10-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)anthracen-9-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-5,6-dihydrobenzo[b][1]benzazepine has a molecular weight of 907.17 g/mol, XLogP of 17.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[7-[(E)-2-[10-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)anthracen-9-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-5,6-dihydrobenzo[b][1]benzazepine is sourced from PubChem (CID 143984146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).