11-methyl-2-[4-[(E)-2-[7'-[(E)-2-[4-(11-methyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]-5,6-dihydrobenzo[b][1]benzazepine

C71H54N2 — CID 59236687

IUPAC11-methyl-2-[4-[(E)-2-[7'-[(E)-2-[4-(11-methyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]-5,6-dihydrobenzo[b][1]benzazepine
SMILESCN1c2ccccc2CCc2ccc(-c3ccc(/C=C/c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cc(/C=C/c6ccc(-c7ccc8c(c7)N(C)c7ccccc7CC8)cc6)ccc4-5)cc3)cc21
InChIInChI=1S/C71H54N2/c1-72-67-17-9-3-11-53(67)33-35-55-37-39-57(45-69(55)72)51-29-23-47(24-30-51)19-21-49-27-41-61-62-42-28-50(44-66(62)71(65(61)43-49)63-15-7-5-13-59(63)60-14-6-8-16-64(60)71)22-20-48-25-31-52(32-26-48)58-40-38-56-36-34-54-12-4-10-18-68(54)73(2)70(56)46-58/h3-32,37-46H,33-36H2,1-2H3/b21-19+,22-20+
InChIKeyASQQYDRYEKSGSG-FLFKKZLDSA-N
MW935.23 g/mol
LogP17.44
Rot. Bonds6

About 11-methyl-2-[4-[(E)-2-[7'-[(E)-2-[4-(11-methyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]-5,6-dihydrobenzo[b][1]benzazepine

11-methyl-2-[4-[(E)-2-[7'-[(E)-2-[4-(11-methyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]-5,6-dihydrobenzo[b][1]benzazepine (PubChem CID 59236687) has the molecular formula C71H54N2 and a molecular weight of 935.23 g/mol. Its IUPAC name is 11-methyl-2-[4-[(E)-2-[7'-[(E)-2-[4-(11-methyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]-5,6-dihydrobenzo[b][1]benzazepine.

Molecular Properties

Compound Name11-methyl-2-[4-[(E)-2-[7'-[(E)-2-[4-(11-methyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]-5,6-dihydrobenzo[b][1]benzazepine
PubChem CID59236687
Molecular FormulaC71H54N2
Molecular Weight935.23 g/mol
Exact Mass934.43
IUPAC Name11-methyl-2-[4-[(E)-2-[7'-[(E)-2-[4-(11-methyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]-5,6-dihydrobenzo[b][1]benzazepine
SMILESCN1c2ccccc2CCc2ccc(-c3ccc(/C=C/c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cc(/C=C/c6ccc(-c7ccc8c(c7)N(C)c7ccccc7CC8)cc6)ccc4-5)cc3)cc21
InChIInChI=1S/C71H54N2/c1-72-67-17-9-3-11-53(67)33-35-55-37-39-57(45-69(55)72)51-29-23-47(24-30-51)19-21-49-27-41-61-62-42-28-50(44-66(62)71(65(61)43-49)63-15-7-5-13-59(63)60-14-6-8-16-64(60)71)22-20-48-25-31-52(32-26-48)58-40-38-56-36-34-54-12-4-10-18-68(54)73(2)70(56)46-58/h3-32,37-46H,33-36H2,1-2H3/b21-19+,22-20+
InChIKeyASQQYDRYEKSGSG-FLFKKZLDSA-N
XLogP17.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.23
LogP ≤ 517.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 11-methyl-2-[4-[(E)-2-[7'-[(E)-2-[4-(11-methyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]-5,6-dihydrobenzo[b][1]benzazepine with MolForge

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Related Compounds

9,9,10-trimethyl-3-[4-[(E)-2-[7'-[(E)-2-[4-(9,9,10-trimethylacridin-3-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]acridine
CID 59236577
3-[4-[(E)-2-[7'-[9,9-diphenyl-7-[(E)-2-[4-(9-phenylcarbazol-3-yl)phenyl]ethenyl]fluoren-2-yl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]-9-phenylcarbazole
CID 59236244
9-naphthalen-1-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-1-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole
CID 59236693
1-[4-[7-[2-[7-(2,2-dimethyl-3,4-dihydroquinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]phenyl]-2,2-dimethyl-3,4-dihydroquinoline
CID 91445519
9-naphthalen-2-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole
CID 59236656
9-(4-methylphenyl)-3-[6-[(E)-2-[7'-[(E)-2-[6-[9-(4-methylphenyl)carbazol-3-yl]naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole
CID 59236105
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
3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methyl-9H-acridine
CID 59195977
10-[4-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]-9H-acridine
CID 89070887
10-[7-[(E)-2-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]phenothiazine
CID 89071852
2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]-11-methyl-5,6-dihydrobenzo[b][1]benzazepine
CID 59196377
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734

Frequently Asked Questions

What is the IUPAC name of 11-methyl-2-[4-[(E)-2-[7'-[(E)-2-[4-(11-methyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]-5,6-dihydrobenzo[b][1]benzazepine?
The IUPAC name of 11-methyl-2-[4-[(E)-2-[7'-[(E)-2-[4-(11-methyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]-5,6-dihydrobenzo[b][1]benzazepine (CID 59236687) is 11-methyl-2-[4-[(E)-2-[7'-[(E)-2-[4-(11-methyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]-5,6-dihydrobenzo[b][1]benzazepine.
What is the SMILES notation for 11-methyl-2-[4-[(E)-2-[7'-[(E)-2-[4-(11-methyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]-5,6-dihydrobenzo[b][1]benzazepine?
The canonical SMILES for 11-methyl-2-[4-[(E)-2-[7'-[(E)-2-[4-(11-methyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]-5,6-dihydrobenzo[b][1]benzazepine is CN1c2ccccc2CCc2ccc(-c3ccc(/C=C/c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cc(/C=C/c6ccc(-c7ccc8c(c7)N(C)c7ccccc7CC8)cc6)ccc4-5)cc3)cc21.
What is the InChIKey of 11-methyl-2-[4-[(E)-2-[7'-[(E)-2-[4-(11-methyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]-5,6-dihydrobenzo[b][1]benzazepine?
The InChIKey is ASQQYDRYEKSGSG-FLFKKZLDSA-N. The full InChI is InChI=1S/C71H54N2/c1-72-67-17-9-3-11-53(67)33-35-55-37-39-57(45-69(55)72)51-29-23-47(24-30-51)19-21-49-27-41-61-62-42-28-50(44-66(62)71(65(61)43-49)63-15-7-5-13-59(63)60-14-6-8-16-64(60)71)22-20-48-25-31-52(32-26-48)58-40-38-56-36-34-54-12-4-10-18-68(54)73(2)70(56)46-58/h3-32,37-46H,33-36H2,1-2H3/b21-19+,22-20+.
What are the key properties of 11-methyl-2-[4-[(E)-2-[7'-[(E)-2-[4-(11-methyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]-5,6-dihydrobenzo[b][1]benzazepine?
11-methyl-2-[4-[(E)-2-[7'-[(E)-2-[4-(11-methyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]-5,6-dihydrobenzo[b][1]benzazepine has a molecular weight of 935.23 g/mol, XLogP of 17.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-2-[4-[(E)-2-[7'-[(E)-2-[4-(11-methyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]-5,6-dihydrobenzo[b][1]benzazepine is sourced from PubChem (CID 59236687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).