10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)-9,9-dimethylacridine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenothiazine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenoxazine

C147H105N3OS4Si6 — CID 160939064

IUPAC10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)-9,9-dimethylacridine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenothiazine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenoxazine
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)[Si]2(c4ccccc4Sc4ccccc42)c2ccccc2[Si]3(c2ccccc2)c2ccccc2)c2ccccc21.c1ccc([Si]2(c3ccccc3)c3ccccc3[Si]3(c4ccccc4Sc4ccccc43)c3cc(N4c5ccccc5Oc5ccccc54)ccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3[Si]3(c4ccccc4Sc4ccccc43)c3cc(N4c5ccccc5Sc5ccccc54)ccc32)cc1
InChIInChI=1S/C51H39NSSi2.C48H33NOSSi2.C48H33NS2Si2/c1-51(2)39-23-9-11-25-41(39)52(42-26-12-10-24-40(42)51)36-33-34-49-50(35-36)55(45-29-15-13-27-43(45)53-44-28-14-16-30-46(44)55)48-32-18-17-31-47(48)54(49,37-19-5-3-6-20-37)38-21-7-4-8-22-38;2*1-3-17-35(18-4-1)52(36-19-5-2-6-20-36)45-29-15-16-30-46(45)53(43-27-13-11-25-41(43)51-42-26-12-14-28-44(42)53)48-33-34(31-32-47(48)52)49-37-21-7-9-23-39(37)50-40-24-10-8-22-38(40)49/h3-35H,1-2H3;2*1-33H
InChIKeySUGLLBFATGUFMJ-UHFFFAOYSA-N
MW2226.26 g/mol
LogP21.28
Rot. Bonds9

About 10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)-9,9-dimethylacridine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenothiazine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenoxazine

10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)-9,9-dimethylacridine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenothiazine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenoxazine (PubChem CID 160939064) has the molecular formula C147H105N3OS4Si6 and a molecular weight of 2226.26 g/mol. Its IUPAC name is 10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)-9,9-dimethylacridine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenothiazine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenoxazine.

Molecular Properties

Compound Name10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)-9,9-dimethylacridine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenothiazine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenoxazine
PubChem CID160939064
Molecular FormulaC147H105N3OS4Si6
Molecular Weight2226.26 g/mol
Exact Mass2223.58
IUPAC Name10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)-9,9-dimethylacridine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenothiazine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenoxazine
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)[Si]2(c4ccccc4Sc4ccccc42)c2ccccc2[Si]3(c2ccccc2)c2ccccc2)c2ccccc21.c1ccc([Si]2(c3ccccc3)c3ccccc3[Si]3(c4ccccc4Sc4ccccc43)c3cc(N4c5ccccc5Oc5ccccc54)ccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3[Si]3(c4ccccc4Sc4ccccc43)c3cc(N4c5ccccc5Sc5ccccc54)ccc32)cc1
InChIInChI=1S/C51H39NSSi2.C48H33NOSSi2.C48H33NS2Si2/c1-51(2)39-23-9-11-25-41(39)52(42-26-12-10-24-40(42)51)36-33-34-49-50(35-36)55(45-29-15-13-27-43(45)53-44-28-14-16-30-46(44)55)48-32-18-17-31-47(48)54(49,37-19-5-3-6-20-37)38-21-7-4-8-22-38;2*1-3-17-35(18-4-1)52(36-19-5-2-6-20-36)45-29-15-16-30-46(45)53(43-27-13-11-25-41(43)51-42-26-12-14-28-44(42)53)48-33-34(31-32-47(48)52)49-37-21-7-9-23-39(37)50-40-24-10-8-22-38(40)49/h3-35H,1-2H3;2*1-33H
InChIKeySUGLLBFATGUFMJ-UHFFFAOYSA-N
XLogP21.28
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms161
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002226.26
LogP ≤ 521.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)-9,9-dimethylacridine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenothiazine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenoxazine with MolForge

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Related Compounds

9,9-dimethyl-10-spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-3'-ylacridine
CID 147184268
9,9-dimethyl-10-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylacridine
CID 147956721
10-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenyl]-9,9-dimethylacridine
CID 146785858
9-[4-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-yl)phenyl]carbazole;10-[4-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-yl)phenyl]-9,9-dimethylacridine;10-[4-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-yl)phenyl]phenothiazine;10-[4-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-yl)phenyl]phenoxazine;N-naphthalen-1-yl-5',5'-diphenyl-N-(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-3-amine
CID 158429317
9,9-dimethyl-10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)acridine;9-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)carbazole;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenothiazine;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenoxazine
CID 157232639
5-(9,9-dimethylacridin-10-yl)-2-phenylisoindole-1,3-dione;5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-phenylisoindole-1,3-dione;5-phenothiazin-10-yl-2-phenylisoindole-1,3-dione;5-phenothiazin-10-yl-2-pyrimidin-5-ylisoindole-1,3-dione;5-phenoxazin-10-yl-2-pyrimidin-5-ylisoindole-1,3-dione
CID 158097074
CID 166012477
CID 166012477
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3-phenothiazin-10-yl-5-(6-phenyl-2-pyridinyl)phenyl]phenothiazine
CID 158999619
10-[8-(2,6-diphenyl-4-pyridinyl)dibenzo-p-dioxin-2-yl]-9,9-dimethylacridine;10-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzo-p-dioxin-2-yl]-9,9-dimethylacridine;5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzo-p-dioxin-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzo-p-dioxin-2-yl]-9,9-dimethyl-10-phenylacridine;10-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzo-p-dioxin-2-yl]phenothiazine;10-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzo-p-dioxin-2-yl]phenoxazine;3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzo-p-dioxin-2-yl]-10-phenylphenoxazine
CID 158258534
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 158041243
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 158328207
9,9-dimethyl-10-(3-propan-2-ylphenyl)acridine;N,N-diphenyl-3-propan-2-ylaniline;5-methyl-10-(3-propan-2-ylphenyl)phenazine;10-(4-propan-2-ylphenyl)phenothiazine;10-(3-propan-2-ylphenyl)phenoxazine
CID 164993931

Frequently Asked Questions

What is the IUPAC name of 10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)-9,9-dimethylacridine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenothiazine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenoxazine?
The IUPAC name of 10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)-9,9-dimethylacridine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenothiazine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenoxazine (CID 160939064) is 10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)-9,9-dimethylacridine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenothiazine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenoxazine.
What is the SMILES notation for 10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)-9,9-dimethylacridine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenothiazine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenoxazine?
The canonical SMILES for 10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)-9,9-dimethylacridine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenothiazine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenoxazine is CC1(C)c2ccccc2N(c2ccc3c(c2)[Si]2(c4ccccc4Sc4ccccc42)c2ccccc2[Si]3(c2ccccc2)c2ccccc2)c2ccccc21.c1ccc([Si]2(c3ccccc3)c3ccccc3[Si]3(c4ccccc4Sc4ccccc43)c3cc(N4c5ccccc5Oc5ccccc54)ccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3[Si]3(c4ccccc4Sc4ccccc43)c3cc(N4c5ccccc5Sc5ccccc54)ccc32)cc1.
What is the InChIKey of 10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)-9,9-dimethylacridine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenothiazine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenoxazine?
The InChIKey is SUGLLBFATGUFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39NSSi2.C48H33NOSSi2.C48H33NS2Si2/c1-51(2)39-23-9-11-25-41(39)52(42-26-12-10-24-40(42)51)36-33-34-49-50(35-36)55(45-29-15-13-27-43(45)53-44-28-14-16-30-46(44)55)48-32-18-17-31-47(48)54(49,37-19-5-3-6-20-37)38-21-7-4-8-22-38;2*1-3-17-35(18-4-1)52(36-19-5-2-6-20-36)45-29-15-16-30-46(45)53(43-27-13-11-25-41(43)51-42-26-12-14-28-44(42)53)48-33-34(31-32-47(48)52)49-37-21-7-9-23-39(37)50-40-24-10-8-22-38(40)49/h3-35H,1-2H3;2*1-33H.
What are the key properties of 10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)-9,9-dimethylacridine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenothiazine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenoxazine?
10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)-9,9-dimethylacridine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenothiazine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenoxazine has a molecular weight of 2226.26 g/mol, XLogP of 21.28, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)-9,9-dimethylacridine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenothiazine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenoxazine is sourced from PubChem (CID 160939064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).