11-[3-[3-[2-(8-benzo[b][1]benzazepin-11-yl-11,11-dimethyl-5-methylidene-10H-benzo[9]annulen-2-yl)ethenyl]phenyl]phenyl]benzo[b][1]benzazepine

C58H46N2 — CID 91438727

IUPAC11-[3-[3-[2-(8-benzo[b][1]benzazepin-11-yl-11,11-dimethyl-5-methylidene-10H-benzo[9]annulen-2-yl)ethenyl]phenyl]phenyl]benzo[b][1]benzazepine
SMILESC=C1C=CC(N2c3ccccc3C=Cc3ccccc32)=CCC(C)(C)c2cc(C=Cc3cccc(-c4cccc(N5c6ccccc6C=Cc6ccccc65)c4)c3)ccc21
InChIInChI=1S/C58H46N2/c1-41-26-34-50(59-54-22-8-4-15-44(54)30-31-45-16-5-9-23-55(45)59)36-37-58(2,3)53-39-43(29-35-52(41)53)28-27-42-14-12-19-48(38-42)49-20-13-21-51(40-49)60-56-24-10-6-17-46(56)32-33-47-18-7-11-25-57(47)60/h4-36,38-40H,1,37H2,2-3H3
InChIKeyIIRKGXVZMZDENB-UHFFFAOYSA-N
MW771.02 g/mol
LogP15.93
Rot. Bonds5

About 11-[3-[3-[2-(8-benzo[b][1]benzazepin-11-yl-11,11-dimethyl-5-methylidene-10H-benzo[9]annulen-2-yl)ethenyl]phenyl]phenyl]benzo[b][1]benzazepine

11-[3-[3-[2-(8-benzo[b][1]benzazepin-11-yl-11,11-dimethyl-5-methylidene-10H-benzo[9]annulen-2-yl)ethenyl]phenyl]phenyl]benzo[b][1]benzazepine (PubChem CID 91438727) has the molecular formula C58H46N2 and a molecular weight of 771.02 g/mol. Its IUPAC name is 11-[3-[3-[2-(8-benzo[b][1]benzazepin-11-yl-11,11-dimethyl-5-methylidene-10H-benzo[9]annulen-2-yl)ethenyl]phenyl]phenyl]benzo[b][1]benzazepine.

Molecular Properties

Compound Name11-[3-[3-[2-(8-benzo[b][1]benzazepin-11-yl-11,11-dimethyl-5-methylidene-10H-benzo[9]annulen-2-yl)ethenyl]phenyl]phenyl]benzo[b][1]benzazepine
PubChem CID91438727
Molecular FormulaC58H46N2
Molecular Weight771.02 g/mol
Exact Mass770.37
IUPAC Name11-[3-[3-[2-(8-benzo[b][1]benzazepin-11-yl-11,11-dimethyl-5-methylidene-10H-benzo[9]annulen-2-yl)ethenyl]phenyl]phenyl]benzo[b][1]benzazepine
SMILESC=C1C=CC(N2c3ccccc3C=Cc3ccccc32)=CCC(C)(C)c2cc(C=Cc3cccc(-c4cccc(N5c6ccccc6C=Cc6ccccc65)c4)c3)ccc21
InChIInChI=1S/C58H46N2/c1-41-26-34-50(59-54-22-8-4-15-44(54)30-31-45-16-5-9-23-55(45)59)36-37-58(2,3)53-39-43(29-35-52(41)53)28-27-42-14-12-19-48(38-42)49-20-13-21-51(40-49)60-56-24-10-6-17-46(56)32-33-47-18-7-11-25-57(47)60/h4-36,38-40H,1,37H2,2-3H3
InChIKeyIIRKGXVZMZDENB-UHFFFAOYSA-N
XLogP15.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.02
LogP ≤ 515.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 11-[3-[3-[2-(8-benzo[b][1]benzazepin-11-yl-11,11-dimethyl-5-methylidene-10H-benzo[9]annulen-2-yl)ethenyl]phenyl]phenyl]benzo[b][1]benzazepine with MolForge

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Related Compounds

11-[7'-[2-(7-benzo[b][1]benzazepin-11-yl-9,9-dimethylfluoren-2-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]benzo[b][1]benzazepine
CID 91041022
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
11-[6-[(E)-2-[9,9-dimethyl-7-(10-phenylphenazin-5-yl)fluoren-2-yl]ethenyl]naphthalen-2-yl]benzo[b][1]benzazepine
CID 89071177
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-[6-[4-[(E)-2-[4-(5-benzo[b][1]benzazepin-11-yl-2-methylcyclohepta-1,4,6-trien-1-yl)-3-(1-methylcyclopentyl)phenyl]ethenyl]naphthalen-1-yl]naphthalen-2-yl]benzo[b][1]benzazepine;ethane
CID 143984433
10-[7-[2-[4-(4-benzo[b][1]benzazepin-11-ylnaphthalen-1-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-5,5-dimethylphenothiazine
CID 91615182
10-[4-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]-9H-acridine
CID 89070887
5-[7-[(E)-2-[4-(4-benzo[b][1]benzazepin-11-yl-6-methylcyclohexa-2,4-dien-1-yl)-3-propan-2-ylphenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 89071953
10-[7-[(E)-2-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,9,9-trimethylacridine
CID 89071052
11-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]triphenylen-2-yl]benzo[b][1]benzazepine
CID 90906407
11-[6-[(E)-2-[7'-(9,10-dihydrobenzo[b][1]benzazepin-11-yl)-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]benzo[b][1]benzazepine
CID 89070967
2-[3-[(E)-2-[9,9-dimethyl-7-(10-phenylphenazin-5-yl)fluoren-2-yl]ethenyl]phenyl]-N-methyl-N-phenyl-4-(10-phenylphenazin-5-yl)aniline;propane
CID 143984116

Frequently Asked Questions

What is the IUPAC name of 11-[3-[3-[2-(8-benzo[b][1]benzazepin-11-yl-11,11-dimethyl-5-methylidene-10H-benzo[9]annulen-2-yl)ethenyl]phenyl]phenyl]benzo[b][1]benzazepine?
The IUPAC name of 11-[3-[3-[2-(8-benzo[b][1]benzazepin-11-yl-11,11-dimethyl-5-methylidene-10H-benzo[9]annulen-2-yl)ethenyl]phenyl]phenyl]benzo[b][1]benzazepine (CID 91438727) is 11-[3-[3-[2-(8-benzo[b][1]benzazepin-11-yl-11,11-dimethyl-5-methylidene-10H-benzo[9]annulen-2-yl)ethenyl]phenyl]phenyl]benzo[b][1]benzazepine.
What is the SMILES notation for 11-[3-[3-[2-(8-benzo[b][1]benzazepin-11-yl-11,11-dimethyl-5-methylidene-10H-benzo[9]annulen-2-yl)ethenyl]phenyl]phenyl]benzo[b][1]benzazepine?
The canonical SMILES for 11-[3-[3-[2-(8-benzo[b][1]benzazepin-11-yl-11,11-dimethyl-5-methylidene-10H-benzo[9]annulen-2-yl)ethenyl]phenyl]phenyl]benzo[b][1]benzazepine is C=C1C=CC(N2c3ccccc3C=Cc3ccccc32)=CCC(C)(C)c2cc(C=Cc3cccc(-c4cccc(N5c6ccccc6C=Cc6ccccc65)c4)c3)ccc21.
What is the InChIKey of 11-[3-[3-[2-(8-benzo[b][1]benzazepin-11-yl-11,11-dimethyl-5-methylidene-10H-benzo[9]annulen-2-yl)ethenyl]phenyl]phenyl]benzo[b][1]benzazepine?
The InChIKey is IIRKGXVZMZDENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46N2/c1-41-26-34-50(59-54-22-8-4-15-44(54)30-31-45-16-5-9-23-55(45)59)36-37-58(2,3)53-39-43(29-35-52(41)53)28-27-42-14-12-19-48(38-42)49-20-13-21-51(40-49)60-56-24-10-6-17-46(56)32-33-47-18-7-11-25-57(47)60/h4-36,38-40H,1,37H2,2-3H3.
What are the key properties of 11-[3-[3-[2-(8-benzo[b][1]benzazepin-11-yl-11,11-dimethyl-5-methylidene-10H-benzo[9]annulen-2-yl)ethenyl]phenyl]phenyl]benzo[b][1]benzazepine?
11-[3-[3-[2-(8-benzo[b][1]benzazepin-11-yl-11,11-dimethyl-5-methylidene-10H-benzo[9]annulen-2-yl)ethenyl]phenyl]phenyl]benzo[b][1]benzazepine has a molecular weight of 771.02 g/mol, XLogP of 15.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-[3-[2-(8-benzo[b][1]benzazepin-11-yl-11,11-dimethyl-5-methylidene-10H-benzo[9]annulen-2-yl)ethenyl]phenyl]phenyl]benzo[b][1]benzazepine is sourced from PubChem (CID 91438727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).