11-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]fluoren-2-yl]-9,10-dihydrobenzo[b][1]benzazepine

C61H52N2 — CID 89071716

IUPAC11-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]fluoren-2-yl]-9,10-dihydrobenzo[b][1]benzazepine
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)C3(Cc5ccccc5C3)c3cc(N5CCCC6=C5CCC=C6)ccc3-4)ccc2-c2ccc(N3C4=C(C=CCC4)C=Cc4ccccc43)cc21
InChIInChI=1S/C61H52N2/c1-60(2)53-34-40(23-29-49(53)50-32-28-48(37-54(50)60)63-58-19-9-6-13-43(58)25-26-44-14-7-10-20-59(44)63)21-22-41-24-30-51-52-31-27-47(62-33-11-17-42-12-5-8-18-57(42)62)36-56(52)61(55(51)35-41)38-45-15-3-4-16-46(45)39-61/h3-7,9,12-16,19,21-32,34-37H,8,10-11,17-18,20,33,38-39H2,1-2H3/b22-21+
InChIKeyMCOSNMREJGCONM-QURGRASLSA-N
MW813.10 g/mol
LogP15.20
Rot. Bonds4

About 11-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]fluoren-2-yl]-9,10-dihydrobenzo[b][1]benzazepine

11-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]fluoren-2-yl]-9,10-dihydrobenzo[b][1]benzazepine (PubChem CID 89071716) has the molecular formula C61H52N2 and a molecular weight of 813.10 g/mol. Its IUPAC name is 11-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]fluoren-2-yl]-9,10-dihydrobenzo[b][1]benzazepine.

Molecular Properties

Compound Name11-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]fluoren-2-yl]-9,10-dihydrobenzo[b][1]benzazepine
PubChem CID89071716
Molecular FormulaC61H52N2
Molecular Weight813.10 g/mol
Exact Mass812.41
IUPAC Name11-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]fluoren-2-yl]-9,10-dihydrobenzo[b][1]benzazepine
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)C3(Cc5ccccc5C3)c3cc(N5CCCC6=C5CCC=C6)ccc3-4)ccc2-c2ccc(N3C4=C(C=CCC4)C=Cc4ccccc43)cc21
InChIInChI=1S/C61H52N2/c1-60(2)53-34-40(23-29-49(53)50-32-28-48(37-54(50)60)63-58-19-9-6-13-43(58)25-26-44-14-7-10-20-59(44)63)21-22-41-24-30-51-52-31-27-47(62-33-11-17-42-12-5-8-18-57(42)62)36-56(52)61(55(51)35-41)38-45-15-3-4-16-46(45)39-61/h3-7,9,12-16,19,21-32,34-37H,8,10-11,17-18,20,33,38-39H2,1-2H3/b22-21+
InChIKeyMCOSNMREJGCONM-QURGRASLSA-N
XLogP15.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.10
LogP ≤ 515.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 11-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]fluoren-2-yl]-9,10-dihydrobenzo[b][1]benzazepine with MolForge

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Related Compounds

11-[7'-[(E)-2-[9,9-dimethyl-7-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-9,10-dihydrobenzo[b][1]benzazepine
CID 89071992
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-[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
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
10-[7'-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-5'-methyl-9,9'-spirobi[fluorene]-2'-yl]-4,9-dihydro-3H-acridine
CID 89070944
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
5-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-10-phenyl-1,2-dihydrophenazine
CID 89071084
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
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
1-[7-[2-[9,9-dimethyl-7-(7-methyl-3,4,7,8-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]phenanthren-2-yl]-3,4-dihydro-2H-quinoline
CID 91610645

Frequently Asked Questions

What is the IUPAC name of 11-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]fluoren-2-yl]-9,10-dihydrobenzo[b][1]benzazepine?
The IUPAC name of 11-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]fluoren-2-yl]-9,10-dihydrobenzo[b][1]benzazepine (CID 89071716) is 11-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]fluoren-2-yl]-9,10-dihydrobenzo[b][1]benzazepine.
What is the SMILES notation for 11-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]fluoren-2-yl]-9,10-dihydrobenzo[b][1]benzazepine?
The canonical SMILES for 11-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]fluoren-2-yl]-9,10-dihydrobenzo[b][1]benzazepine is CC1(C)c2cc(/C=C/c3ccc4c(c3)C3(Cc5ccccc5C3)c3cc(N5CCCC6=C5CCC=C6)ccc3-4)ccc2-c2ccc(N3C4=C(C=CCC4)C=Cc4ccccc43)cc21.
What is the InChIKey of 11-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]fluoren-2-yl]-9,10-dihydrobenzo[b][1]benzazepine?
The InChIKey is MCOSNMREJGCONM-QURGRASLSA-N. The full InChI is InChI=1S/C61H52N2/c1-60(2)53-34-40(23-29-49(53)50-32-28-48(37-54(50)60)63-58-19-9-6-13-43(58)25-26-44-14-7-10-20-59(44)63)21-22-41-24-30-51-52-31-27-47(62-33-11-17-42-12-5-8-18-57(42)62)36-56(52)61(55(51)35-41)38-45-15-3-4-16-46(45)39-61/h3-7,9,12-16,19,21-32,34-37H,8,10-11,17-18,20,33,38-39H2,1-2H3/b22-21+.
What are the key properties of 11-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]fluoren-2-yl]-9,10-dihydrobenzo[b][1]benzazepine?
11-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]fluoren-2-yl]-9,10-dihydrobenzo[b][1]benzazepine has a molecular weight of 813.10 g/mol, XLogP of 15.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]fluoren-2-yl]-9,10-dihydrobenzo[b][1]benzazepine is sourced from PubChem (CID 89071716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).