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

C57H52N2Si — CID 90948787

IUPAC10-[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
SMILESCC1(C)c2cc(C=Cc3ccc4c(c3)-c3cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc3[Si]43CCCC3)ccc2-c2ccc(N3CCCc4ccccc43)cc21
InChIInChI=1S/C57H52N2Si/c1-56(2)47-16-6-9-19-52(47)59(53-20-10-7-17-48(53)56)42-26-30-55-46(36-42)45-34-38(24-29-54(45)60(55)32-11-12-33-60)21-22-39-23-27-43-44-28-25-41(37-50(44)57(3,4)49(43)35-39)58-31-13-15-40-14-5-8-18-51(40)58/h5-10,14,16-30,34-37H,11-13,15,31-33H2,1-4H3
InChIKeyBMKYJQFMCUUYNS-UHFFFAOYSA-N
MW793.14 g/mol
LogP13.69
Rot. Bonds4

About 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

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 (PubChem CID 90948787) has the molecular formula C57H52N2Si and a molecular weight of 793.14 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-[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
PubChem CID90948787
Molecular FormulaC57H52N2Si
Molecular Weight793.14 g/mol
Exact Mass792.39
IUPAC Name10-[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
SMILESCC1(C)c2cc(C=Cc3ccc4c(c3)-c3cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc3[Si]43CCCC3)ccc2-c2ccc(N3CCCc4ccccc43)cc21
InChIInChI=1S/C57H52N2Si/c1-56(2)47-16-6-9-19-52(47)59(53-20-10-7-17-48(53)56)42-26-30-55-46(36-42)45-34-38(24-29-54(45)60(55)32-11-12-33-60)21-22-39-23-27-43-44-28-25-41(37-50(44)57(3,4)49(43)35-39)58-31-13-15-40-14-5-8-18-51(40)58/h5-10,14,16-30,34-37H,11-13,15,31-33H2,1-4H3
InChIKeyBMKYJQFMCUUYNS-UHFFFAOYSA-N
XLogP13.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.14
LogP ≤ 513.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 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'-[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
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-[(E)-2-[12-(3,4-dihydro-2H-quinolin-1-yl)chrysen-6-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-3,4-dihydro-2H-quinoline
CID 89071639
10-[5-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-9,9-dimethylacridine
CID 89070990
10-[4-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9,9-dimethylacridine
CID 91237807
5-[4-[2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]naphthalen-1-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]
CID 91022662
1-[4-[2-[8-[2-(3,4-dihydro-2H-quinolin-1-yl)ethenyl]-10,10,12,12-tetramethylindeno[2,1-b]fluoren-2-yl]ethenyl]phenyl]-3,4-dihydro-2H-quinoline
CID 90938460
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-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]benzo[b][1]benzazepine
CID 90788530
1-[7-[(E)-2-[2-ethenyl-3,3-diphenyl-1-[(Z)-prop-1-enyl]inden-5-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-3,4-dihydro-2H-quinoline
CID 89071530

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(C=Cc3ccc4c(c3)-c3cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc3[Si]43CCCC3)ccc2-c2ccc(N3CCCc4ccccc43)cc21.
What is the InChIKey of 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?
The InChIKey is BMKYJQFMCUUYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H52N2Si/c1-56(2)47-16-6-9-19-52(47)59(53-20-10-7-17-48(53)56)42-26-30-55-46(36-42)45-34-38(24-29-54(45)60(55)32-11-12-33-60)21-22-39-23-27-43-44-28-25-41(37-50(44)57(3,4)49(43)35-39)58-31-13-15-40-14-5-8-18-51(40)58/h5-10,14,16-30,34-37H,11-13,15,31-33H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 793.14 g/mol, XLogP of 13.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90948787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).