11-[4-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,9a-dihydrofluorene-9,1'-cyclopentane]-2-yl]ethenyl]phenyl]phenyl]benzo[b][1]benzazepine

C54H46N2 — CID 143984108

IUPAC11-[4-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,9a-dihydrofluorene-9,1'-cyclopentane]-2-yl]ethenyl]phenyl]phenyl]benzo[b][1]benzazepine
SMILESC1=Cc2ccccc2N(c2ccc(-c3ccc(/C=C/C4=CC=C5c6ccc(N7CCCc8ccccc87)cc6C6(CCCC6)C5C4)cc3)cc2)c2ccccc21
InChIInChI=1S/C54H46N2/c1-4-14-51-42(10-1)13-9-35-55(51)46-30-32-48-47-31-21-39(36-49(47)54(50(48)37-46)33-7-8-34-54)18-17-38-19-22-40(23-20-38)41-26-28-45(29-27-41)56-52-15-5-2-11-43(52)24-25-44-12-3-6-16-53(44)56/h1-6,10-12,14-32,37,49H,7-9,13,33-36H2/b18-17+
InChIKeyHAEQTSBYGQIKCL-ISLYRVAYSA-N
MW722.98 g/mol
LogP14.26
Rot. Bonds5

About 11-[4-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,9a-dihydrofluorene-9,1'-cyclopentane]-2-yl]ethenyl]phenyl]phenyl]benzo[b][1]benzazepine

11-[4-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,9a-dihydrofluorene-9,1'-cyclopentane]-2-yl]ethenyl]phenyl]phenyl]benzo[b][1]benzazepine (PubChem CID 143984108) has the molecular formula C54H46N2 and a molecular weight of 722.98 g/mol. Its IUPAC name is 11-[4-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,9a-dihydrofluorene-9,1'-cyclopentane]-2-yl]ethenyl]phenyl]phenyl]benzo[b][1]benzazepine.

Molecular Properties

Compound Name11-[4-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,9a-dihydrofluorene-9,1'-cyclopentane]-2-yl]ethenyl]phenyl]phenyl]benzo[b][1]benzazepine
PubChem CID143984108
Molecular FormulaC54H46N2
Molecular Weight722.98 g/mol
Exact Mass722.37
IUPAC Name11-[4-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,9a-dihydrofluorene-9,1'-cyclopentane]-2-yl]ethenyl]phenyl]phenyl]benzo[b][1]benzazepine
SMILESC1=Cc2ccccc2N(c2ccc(-c3ccc(/C=C/C4=CC=C5c6ccc(N7CCCc8ccccc87)cc6C6(CCCC6)C5C4)cc3)cc2)c2ccccc21
InChIInChI=1S/C54H46N2/c1-4-14-51-42(10-1)13-9-35-55(51)46-30-32-48-47-31-21-39(36-49(47)54(50(48)37-46)33-7-8-34-54)18-17-38-19-22-40(23-20-38)41-26-28-45(29-27-41)56-52-15-5-2-11-43(52)24-25-44-12-3-6-16-53(44)56/h1-6,10-12,14-32,37,49H,7-9,13,33-36H2/b18-17+
InChIKeyHAEQTSBYGQIKCL-ISLYRVAYSA-N
XLogP14.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.98
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 11-[4-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,9a-dihydrofluorene-9,1'-cyclopentane]-2-yl]ethenyl]phenyl]phenyl]benzo[b][1]benzazepine with MolForge

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Related Compounds

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-(7-ethenyl-9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-3,4-dihydro-2H-quinoline
CID 89071476
1-[7'-[(E)-2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline
CID 89071564
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-[7-[2-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]benzo[b][1]benzazepine
CID 90788530
5-[4-[10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9-ethyl-9-methylfluoren-2-yl]ethenyl]phenyl]anthracen-9-yl]phenyl]-10-phenylphenazine
CID 143984086
1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[cyclohexane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline
CID 91214986
1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline
CID 90809411
11-[6-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)spiro[9H-benzo[a]azulene-10,9'-fluorene]-2-yl]ethenyl]naphthalen-2-yl]benzo[b][1]benzazepine
CID 91233146
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-[16-(3,4-dihydro-2H-quinolin-1-yl)-5-tricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaenyl]ethenyl]-1-methylspiro[1,2-dihydrofluorene-9,1'-cyclopentane]-2-yl]benzo[b][1]benzazepine
CID 91040693
10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]phenanthren-2-yl]-9H-acridine
CID 90962170

Frequently Asked Questions

What is the IUPAC name of 11-[4-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,9a-dihydrofluorene-9,1'-cyclopentane]-2-yl]ethenyl]phenyl]phenyl]benzo[b][1]benzazepine?
The IUPAC name of 11-[4-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,9a-dihydrofluorene-9,1'-cyclopentane]-2-yl]ethenyl]phenyl]phenyl]benzo[b][1]benzazepine (CID 143984108) is 11-[4-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,9a-dihydrofluorene-9,1'-cyclopentane]-2-yl]ethenyl]phenyl]phenyl]benzo[b][1]benzazepine.
What is the SMILES notation for 11-[4-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,9a-dihydrofluorene-9,1'-cyclopentane]-2-yl]ethenyl]phenyl]phenyl]benzo[b][1]benzazepine?
The canonical SMILES for 11-[4-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,9a-dihydrofluorene-9,1'-cyclopentane]-2-yl]ethenyl]phenyl]phenyl]benzo[b][1]benzazepine is C1=Cc2ccccc2N(c2ccc(-c3ccc(/C=C/C4=CC=C5c6ccc(N7CCCc8ccccc87)cc6C6(CCCC6)C5C4)cc3)cc2)c2ccccc21.
What is the InChIKey of 11-[4-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,9a-dihydrofluorene-9,1'-cyclopentane]-2-yl]ethenyl]phenyl]phenyl]benzo[b][1]benzazepine?
The InChIKey is HAEQTSBYGQIKCL-ISLYRVAYSA-N. The full InChI is InChI=1S/C54H46N2/c1-4-14-51-42(10-1)13-9-35-55(51)46-30-32-48-47-31-21-39(36-49(47)54(50(48)37-46)33-7-8-34-54)18-17-38-19-22-40(23-20-38)41-26-28-45(29-27-41)56-52-15-5-2-11-43(52)24-25-44-12-3-6-16-53(44)56/h1-6,10-12,14-32,37,49H,7-9,13,33-36H2/b18-17+.
What are the key properties of 11-[4-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,9a-dihydrofluorene-9,1'-cyclopentane]-2-yl]ethenyl]phenyl]phenyl]benzo[b][1]benzazepine?
11-[4-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,9a-dihydrofluorene-9,1'-cyclopentane]-2-yl]ethenyl]phenyl]phenyl]benzo[b][1]benzazepine has a molecular weight of 722.98 g/mol, XLogP of 14.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,9a-dihydrofluorene-9,1'-cyclopentane]-2-yl]ethenyl]phenyl]phenyl]benzo[b][1]benzazepine is sourced from PubChem (CID 143984108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).