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]

C68H57N3Si — CID 90758390

IUPAC5-[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]
SMILESCC1CC=CC2=C1N(c1ccccc1)c1ccccc1N2c1ccc2c(c1)C(C)(C)c1cc(C=Cc3ccc(-c4ccc(N5c6ccccc6[Si]6(CCCC6)c6ccccc65)c5ccccc45)cc3)ccc1-2
InChIInChI=1S/C68H57N3Si/c1-46-18-17-27-64-67(46)70(50-19-5-4-6-20-50)61-24-10-9-23-60(61)69(64)51-37-39-55-54-38-34-48(44-57(54)68(2,3)58(55)45-51)31-30-47-32-35-49(36-33-47)52-40-41-59(56-22-8-7-21-53(52)56)71-62-25-11-13-28-65(62)72(42-15-16-43-72)66-29-14-12-26-63(66)71/h4-14,17,19-41,44-46H,15-16,18,42-43H2,1-3H3
InChIKeyJNORHCSVYOKNBI-UHFFFAOYSA-N
MW944.31 g/mol
LogP17.22
Rot. Bonds6

About 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]

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] (PubChem CID 90758390) has the molecular formula C68H57N3Si and a molecular weight of 944.31 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name5-[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]
PubChem CID90758390
Molecular FormulaC68H57N3Si
Molecular Weight944.31 g/mol
Exact Mass943.43
IUPAC Name5-[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]
SMILESCC1CC=CC2=C1N(c1ccccc1)c1ccccc1N2c1ccc2c(c1)C(C)(C)c1cc(C=Cc3ccc(-c4ccc(N5c6ccccc6[Si]6(CCCC6)c6ccccc65)c5ccccc45)cc3)ccc1-2
InChIInChI=1S/C68H57N3Si/c1-46-18-17-27-64-67(46)70(50-19-5-4-6-20-50)61-24-10-9-23-60(61)69(64)51-37-39-55-54-38-34-48(44-57(54)68(2,3)58(55)45-51)31-30-47-32-35-49(36-33-47)52-40-41-59(56-22-8-7-21-53(52)56)71-62-25-11-13-28-65(62)72(42-15-16-43-72)66-29-14-12-26-63(66)71/h4-14,17,19-41,44-46H,15-16,18,42-43H2,1-3H3
InChIKeyJNORHCSVYOKNBI-UHFFFAOYSA-N
XLogP17.22
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500944.31
LogP ≤ 517.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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] with MolForge

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Related Compounds

10-[4-[4-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]phenyl]naphthalen-1-yl]phenoxazine
CID 90764809
10-[4-[4-[(E)-2-[7-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-9,9-dimethylacridine
CID 89070905
ethane;5-methyl-10-[7'-[(E)-2-[4-[4-(10-phenylphenazin-5-yl)naphthalen-1-yl]phenyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenazine
CID 143984217
10-[7-[2-[4-(4-benzo[b][1]benzazepin-11-ylnaphthalen-1-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-5,5-dimethylphenothiazine
CID 91615182
5-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-10-phenyl-1,2-dihydrophenazine
CID 89071084
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-[4-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]-9H-acridine
CID 89070887
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
11-[6-[(E)-2-[9,9-dimethyl-7-(10-phenylphenazin-5-yl)fluoren-2-yl]ethenyl]naphthalen-2-yl]benzo[b][1]benzazepine
CID 89071177
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
3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-5,9-dimethylspiro[8,9-dihydrobenzo[b][1,4]benzazasiline-10,1'-silolane]
CID 89139328
5-phenyl-10-[7-[6-[2-(7,9,9-trimethylfluoren-2-yl)ethenyl]naphthalen-2-yl]phenanthren-2-yl]phenazine
CID 90848407

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is CC1CC=CC2=C1N(c1ccccc1)c1ccccc1N2c1ccc2c(c1)C(C)(C)c1cc(C=Cc3ccc(-c4ccc(N5c6ccccc6[Si]6(CCCC6)c6ccccc65)c5ccccc45)cc3)ccc1-2.
What is the InChIKey of 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]?
The InChIKey is JNORHCSVYOKNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H57N3Si/c1-46-18-17-27-64-67(46)70(50-19-5-4-6-20-50)61-24-10-9-23-60(61)69(64)51-37-39-55-54-38-34-48(44-57(54)68(2,3)58(55)45-51)31-30-47-32-35-49(36-33-47)52-40-41-59(56-22-8-7-21-53(52)56)71-62-25-11-13-28-65(62)72(42-15-16-43-72)66-29-14-12-26-63(66)71/h4-14,17,19-41,44-46H,15-16,18,42-43H2,1-3H3.
What are the key properties of 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]?
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] has a molecular weight of 944.31 g/mol, XLogP of 17.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 90758390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).