5-[10-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-7-methyl-9-(2-methylphenyl)-9-phenyl-8H-fluoren-2-yl]ethenyl]anthracen-9-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]

C68H58N2Si — CID 91614021

IUPAC5-[10-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-7-methyl-9-(2-methylphenyl)-9-phenyl-8H-fluoren-2-yl]ethenyl]anthracen-9-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]
SMILESCc1ccccc1C1(c2ccccc2)C2=C(C=CC(C)(N3CCCc4ccccc43)C2)c2ccc(C=Cc3c4ccccc4c(N4c5ccccc5[Si]5(CCCC5)c5ccccc54)c4ccccc34)cc21
InChIInChI=1S/C68H58N2Si/c1-47-21-6-12-30-58(47)68(50-24-4-3-5-25-50)59-45-48(37-39-54(59)55-40-41-67(2,46-60(55)68)69-42-20-23-49-22-7-13-31-61(49)69)36-38-53-51-26-8-10-28-56(51)66(57-29-11-9-27-52(53)57)70-62-32-14-16-34-64(62)71(43-18-19-44-71)65-35-17-15-33-63(65)70/h3-17,21-22,24-41,45H,18-20,23,42-44,46H2,1-2H3
InChIKeyFIGXZCDNEYHTPQ-UHFFFAOYSA-N
MW931.31 g/mol
LogP15.88
Rot. Bonds6

About 5-[10-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-7-methyl-9-(2-methylphenyl)-9-phenyl-8H-fluoren-2-yl]ethenyl]anthracen-9-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]

5-[10-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-7-methyl-9-(2-methylphenyl)-9-phenyl-8H-fluoren-2-yl]ethenyl]anthracen-9-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane] (PubChem CID 91614021) has the molecular formula C68H58N2Si and a molecular weight of 931.31 g/mol. Its IUPAC name is 5-[10-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-7-methyl-9-(2-methylphenyl)-9-phenyl-8H-fluoren-2-yl]ethenyl]anthracen-9-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane].

Molecular Properties

Compound Name5-[10-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-7-methyl-9-(2-methylphenyl)-9-phenyl-8H-fluoren-2-yl]ethenyl]anthracen-9-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]
PubChem CID91614021
Molecular FormulaC68H58N2Si
Molecular Weight931.31 g/mol
Exact Mass930.44
IUPAC Name5-[10-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-7-methyl-9-(2-methylphenyl)-9-phenyl-8H-fluoren-2-yl]ethenyl]anthracen-9-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]
SMILESCc1ccccc1C1(c2ccccc2)C2=C(C=CC(C)(N3CCCc4ccccc43)C2)c2ccc(C=Cc3c4ccccc4c(N4c5ccccc5[Si]5(CCCC5)c5ccccc54)c4ccccc34)cc21
InChIInChI=1S/C68H58N2Si/c1-47-21-6-12-30-58(47)68(50-24-4-3-5-25-50)59-45-48(37-39-54(59)55-40-41-67(2,46-60(55)68)69-42-20-23-49-22-7-13-31-61(49)69)36-38-53-51-26-8-10-28-56(51)66(57-29-11-9-27-52(53)57)70-62-32-14-16-34-64(62)71(43-18-19-44-71)65-35-17-15-33-63(65)70/h3-17,21-22,24-41,45H,18-20,23,42-44,46H2,1-2H3
InChIKeyFIGXZCDNEYHTPQ-UHFFFAOYSA-N
XLogP15.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.31
LogP ≤ 515.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 5-[10-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-7-methyl-9-(2-methylphenyl)-9-phenyl-8H-fluoren-2-yl]ethenyl]anthracen-9-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane] with MolForge

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Related Compounds

11-[7-[(E)-2-[10-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)anthracen-9-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 143984146
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
10-[10-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenylfluoren-2-yl]ethenyl]anthracen-9-yl]phenothiazine
CID 89071688
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
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
5-[7-[2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-4a-methylspiro[9aH-fluorene-9,1'-cyclopentane]-2-yl]-6,9-dimethylspiro[6,7,8,9-tetrahydrobenzo[b][1,4]benzazasiline-10,1'-silolane]
CID 91021194
10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]phenanthren-2-yl]-9H-acridine
CID 90962170
5-[4-[4-[2-[9,9-dimethyl-7-(1-methyl-10-phenyl-1,2-dihydrophenazin-5-yl)fluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]
CID 90758390
1-[6-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]pyren-1-yl]-3,4-dihydro-2H-quinoline
CID 89071913
10-[1-[6'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]-3'-methylspiro[1,3-dihydroindene-2,1'-indene]-2'-yl]buta-1,3-dien-2-yl]-9,9-dimethylacridine
CID 91044338
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
10-[5-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-9-[[10-[7-[2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-2,9,9-trimethyl-1H-fluoren-2-yl]-9H-acridin-1-yl]methyl]-9-methylacridine
CID 91291500

Frequently Asked Questions

What is the IUPAC name of 5-[10-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-7-methyl-9-(2-methylphenyl)-9-phenyl-8H-fluoren-2-yl]ethenyl]anthracen-9-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]?
The IUPAC name of 5-[10-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-7-methyl-9-(2-methylphenyl)-9-phenyl-8H-fluoren-2-yl]ethenyl]anthracen-9-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane] (CID 91614021) is 5-[10-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-7-methyl-9-(2-methylphenyl)-9-phenyl-8H-fluoren-2-yl]ethenyl]anthracen-9-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane].
What is the SMILES notation for 5-[10-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-7-methyl-9-(2-methylphenyl)-9-phenyl-8H-fluoren-2-yl]ethenyl]anthracen-9-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]?
The canonical SMILES for 5-[10-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-7-methyl-9-(2-methylphenyl)-9-phenyl-8H-fluoren-2-yl]ethenyl]anthracen-9-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane] is Cc1ccccc1C1(c2ccccc2)C2=C(C=CC(C)(N3CCCc4ccccc43)C2)c2ccc(C=Cc3c4ccccc4c(N4c5ccccc5[Si]5(CCCC5)c5ccccc54)c4ccccc34)cc21.
What is the InChIKey of 5-[10-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-7-methyl-9-(2-methylphenyl)-9-phenyl-8H-fluoren-2-yl]ethenyl]anthracen-9-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]?
The InChIKey is FIGXZCDNEYHTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H58N2Si/c1-47-21-6-12-30-58(47)68(50-24-4-3-5-25-50)59-45-48(37-39-54(59)55-40-41-67(2,46-60(55)68)69-42-20-23-49-22-7-13-31-61(49)69)36-38-53-51-26-8-10-28-56(51)66(57-29-11-9-27-52(53)57)70-62-32-14-16-34-64(62)71(43-18-19-44-71)65-35-17-15-33-63(65)70/h3-17,21-22,24-41,45H,18-20,23,42-44,46H2,1-2H3.
What are the key properties of 5-[10-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-7-methyl-9-(2-methylphenyl)-9-phenyl-8H-fluoren-2-yl]ethenyl]anthracen-9-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]?
5-[10-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-7-methyl-9-(2-methylphenyl)-9-phenyl-8H-fluoren-2-yl]ethenyl]anthracen-9-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane] has a molecular weight of 931.31 g/mol, XLogP of 15.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-7-methyl-9-(2-methylphenyl)-9-phenyl-8H-fluoren-2-yl]ethenyl]anthracen-9-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane] is sourced from PubChem (CID 91614021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).