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

C61H54N2 — CID 89071496

IUPAC11-[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
SMILESCCc1cc(/C=C/c2ccc3c(c2)C(C)(C)c2cc(N4c5ccccc5CCc5ccccc54)ccc2-3)ccc1-c1ccc(N2c3ccccc3C(C)(C)c3ccccc32)cc1C
InChIInChI=1S/C61H54N2/c1-7-43-37-41(26-32-49(43)48-34-30-46(36-40(48)2)63-58-22-14-10-18-52(58)60(3,4)53-19-11-15-23-59(53)63)24-25-42-27-33-50-51-35-31-47(39-55(51)61(5,6)54(50)38-42)62-56-20-12-8-16-44(56)28-29-45-17-9-13-21-57(45)62/h8-27,30-39H,7,28-29H2,1-6H3/b25-24+
InChIKeyWHPJJLSWMPZURJ-OCOZRVBESA-N
MW815.12 g/mol
LogP16.38
Rot. Bonds6

About 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

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 (PubChem CID 89071496) has the molecular formula C61H54N2 and a molecular weight of 815.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11-[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
PubChem CID89071496
Molecular FormulaC61H54N2
Molecular Weight815.12 g/mol
Exact Mass814.43
IUPAC Name11-[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
SMILESCCc1cc(/C=C/c2ccc3c(c2)C(C)(C)c2cc(N4c5ccccc5CCc5ccccc54)ccc2-3)ccc1-c1ccc(N2c3ccccc3C(C)(C)c3ccccc32)cc1C
InChIInChI=1S/C61H54N2/c1-7-43-37-41(26-32-49(43)48-34-30-46(36-40(48)2)63-58-22-14-10-18-52(58)60(3,4)53-19-11-15-23-59(53)63)24-25-42-27-33-50-51-35-31-47(39-55(51)61(5,6)54(50)38-42)62-56-20-12-8-16-44(56)28-29-45-17-9-13-21-57(45)62/h8-27,30-39H,7,28-29H2,1-6H3/b25-24+
InChIKeyWHPJJLSWMPZURJ-OCOZRVBESA-N
XLogP16.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.12
LogP ≤ 516.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

10-[4-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9,9-dimethylacridine
CID 91237807
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
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-[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-[(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-[9,9-dimethyl-7-(5,6,7,8-tetrahydrobenzo[b][1]benzazepin-11-yl)fluoren-2-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 89070738
10-[8-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[benzo[b][1]benzosilole-5,1'-silolane]-2-yl]-9,9-dimethylacridine
CID 90948787
10-[4-[4-[(E)-2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]phenyl]phenyl]-9,9-dimethylacridine
CID 89071707
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
11-[7-[(E)-2-[7-(10-cyclohexa-2,4-dien-1-ylphenazin-5-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenanthren-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 89071630
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cc(/C=C/c2ccc3c(c2)C(C)(C)c2cc(N4c5ccccc5CCc5ccccc54)ccc2-3)ccc1-c1ccc(N2c3ccccc3C(C)(C)c3ccccc32)cc1C.
What is the InChIKey of 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?
The InChIKey is WHPJJLSWMPZURJ-OCOZRVBESA-N. The full InChI is InChI=1S/C61H54N2/c1-7-43-37-41(26-32-49(43)48-34-30-46(36-40(48)2)63-58-22-14-10-18-52(58)60(3,4)53-19-11-15-23-59(53)63)24-25-42-27-33-50-51-35-31-47(39-55(51)61(5,6)54(50)38-42)62-56-20-12-8-16-44(56)28-29-45-17-9-13-21-57(45)62/h8-27,30-39H,7,28-29H2,1-6H3/b25-24+.
What are the key properties of 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?
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 has a molecular weight of 815.12 g/mol, XLogP of 16.38, 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-[4-[4-(9,9-dimethylacridin-10-yl)-2-methylphenyl]-3-ethylphenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-5,6-dihydrobenzo[b][1]benzazepine is sourced from PubChem (CID 89071496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).