11-[4-[(E)-2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine

C56H48N2 — CID 89070765

IUPAC11-[4-[(E)-2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine
SMILESCC1(C)c2ccccc2N(C2=CC3C(C=C2)c2ccc(/C=C/c4ccc(N5c6ccccc6CCc6ccccc65)c5ccccc45)cc2C3(C)C)c2ccccc21
InChIInChI=1S/C56H48N2/c1-55(2)46-19-9-13-23-53(46)57(54-24-14-10-20-47(54)55)41-31-33-44-43-32-26-37(35-48(43)56(3,4)49(44)36-41)25-27-38-30-34-52(45-18-8-7-17-42(38)45)58-50-21-11-5-15-39(50)28-29-40-16-6-12-22-51(40)58/h5-27,30-36,44,49H,28-29H2,1-4H3/b27-25+
InChIKeyVTTGCMXYLFLIDW-IMVLJIQESA-N
MW749.01 g/mol
LogP14.50
Rot. Bonds4

About 11-[4-[(E)-2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine

11-[4-[(E)-2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine (PubChem CID 89070765) has the molecular formula C56H48N2 and a molecular weight of 749.01 g/mol. Its IUPAC name is 11-[4-[(E)-2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine.

Molecular Properties

Compound Name11-[4-[(E)-2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine
PubChem CID89070765
Molecular FormulaC56H48N2
Molecular Weight749.01 g/mol
Exact Mass748.38
IUPAC Name11-[4-[(E)-2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine
SMILESCC1(C)c2ccccc2N(C2=CC3C(C=C2)c2ccc(/C=C/c4ccc(N5c6ccccc6CCc6ccccc65)c5ccccc45)cc2C3(C)C)c2ccccc21
InChIInChI=1S/C56H48N2/c1-55(2)46-19-9-13-23-53(46)57(54-24-14-10-20-47(54)55)41-31-33-44-43-32-26-37(35-48(43)56(3,4)49(44)36-41)25-27-38-30-34-52(45-18-8-7-17-42(38)45)58-50-21-11-5-15-39(50)28-29-40-16-6-12-22-51(40)58/h5-27,30-36,44,49H,28-29H2,1-4H3/b27-25+
InChIKeyVTTGCMXYLFLIDW-IMVLJIQESA-N
XLogP14.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.01
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 11-[4-[(E)-2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine with MolForge

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Related Compounds

10-[7-[(E)-2-[7-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-4a,9a-dihydrofluoren-2-yl]phenothiazine
CID 89071853
11-[7-[(E)-2-[7-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenanthren-2-yl]ethenyl]-9,9-dimethyl-4a,9a-dihydrofluoren-2-yl]benzo[b][1]benzazepine
CID 89071886
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
11-[7-[(E)-2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,3,4,5-tetrahydroindene-2,9'-fluorene]-2'-yl]ethenyl]-9,9-dimethyl-4a,9a-dihydrofluoren-2-yl]-6-methyl-5,6,9,10-tetrahydrobenzo[b][1]benzazepine
CID 89071144
10-[5-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-4b,9,9-trimethyl-8aH-fluoren-2-yl]ethenyl]naphthalen-1-yl]phenothiazine
CID 90703649
5-[7'-[(E)-2-[7-[2-ethenyl-4,4-dimethyl-3-[(Z)-prop-1-enyl]quinolin-1-yl]-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-11,11-dimethyl-7,10-dihydro-6H-cyclohepta[b]quinoline
CID 89071414
11-[4-[4-[2-[7-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9,9-dimethyl-7,8-dihydrofluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 91448623
10-[5-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-9-[[10-[7-[2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-2,9,9-trimethyl-1H-fluoren-2-yl]-9H-acridin-1-yl]methyl]-9-methylacridine
CID 91291500
5-[5-[(E)-2-[7-[2-ethenyl-3-[(Z)-prop-1-enyl]-4H-quinolin-1-yl]-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-10-phenylphenazine
CID 89071833
10-[7-[(E)-2-[4-[10-(cyclohexen-1-yl)phenazin-5-yl]naphthalen-1-yl]ethenyl]-9,9-dimethylfluoren-2-yl]phenothiazine
CID 89071110
11-[5-[(E)-2-[7'-(5,6,9,10-tetrahydrobenzo[b][1]benzazepin-11-yl)spiro[1,3,4,5-tetrahydroindene-2,9'-fluorene]-2'-yl]ethenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 89070945
1-[7-[(E)-2-[12-(3,4-dihydro-2H-quinolin-1-yl)chrysen-6-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-3,4-dihydro-2H-quinoline
CID 89071639

Frequently Asked Questions

What is the IUPAC name of 11-[4-[(E)-2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine?
The IUPAC name of 11-[4-[(E)-2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine (CID 89070765) is 11-[4-[(E)-2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine.
What is the SMILES notation for 11-[4-[(E)-2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine?
The canonical SMILES for 11-[4-[(E)-2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine is CC1(C)c2ccccc2N(C2=CC3C(C=C2)c2ccc(/C=C/c4ccc(N5c6ccccc6CCc6ccccc65)c5ccccc45)cc2C3(C)C)c2ccccc21.
What is the InChIKey of 11-[4-[(E)-2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine?
The InChIKey is VTTGCMXYLFLIDW-IMVLJIQESA-N. The full InChI is InChI=1S/C56H48N2/c1-55(2)46-19-9-13-23-53(46)57(54-24-14-10-20-47(54)55)41-31-33-44-43-32-26-37(35-48(43)56(3,4)49(44)36-41)25-27-38-30-34-52(45-18-8-7-17-42(38)45)58-50-21-11-5-15-39(50)28-29-40-16-6-12-22-51(40)58/h5-27,30-36,44,49H,28-29H2,1-4H3/b27-25+.
What are the key properties of 11-[4-[(E)-2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine?
11-[4-[(E)-2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine has a molecular weight of 749.01 g/mol, XLogP of 14.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-[(E)-2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine is sourced from PubChem (CID 89070765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).