9-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)carbazole;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)-9,9-dimethylacridine;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenothiazine;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenoxazine;9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenyl]carbazole

C254H175N5OS6Si5 — CID 157132510

IUPAC9-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)carbazole;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)-9,9-dimethylacridine;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenothiazine;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenoxazine;9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenyl]carbazole
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccccc2[Si]3(c2ccccc2)c2ccccc2)c2ccccc21.c1ccc([Si]2(c3ccccc3)c3ccccc3C3(c4ccccc4Sc4ccccc43)c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3C3(c4ccccc4Sc4ccccc43)c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3C3(c4ccccc4Sc4ccccc43)c3cc(N4c5ccccc5Oc5ccccc54)ccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3C3(c4ccccc4Sc4ccccc43)c3cc(N4c5ccccc5Sc5ccccc54)ccc32)cc1
InChIInChI=1S/C55H37NSSi.C52H39NSSi.C49H33NOSSi.C49H33NS2Si.C49H33NSSi/c1-3-17-41(18-4-1)58(42-19-5-2-6-20-42)53-30-16-11-25-47(53)55(45-23-9-14-28-51(45)57-52-29-15-10-24-46(52)55)48-37-39(33-36-54(48)58)38-31-34-40(35-32-38)56-49-26-12-7-21-43(49)44-22-8-13-27-50(44)56;1-51(2)39-23-9-14-28-45(39)53(46-29-15-10-24-40(46)51)36-33-34-50-44(35-36)52(41-25-11-16-30-47(41)54-48-31-17-12-26-42(48)52)43-27-13-18-32-49(43)55(50,37-19-5-3-6-20-37)38-21-7-4-8-22-38;1-3-17-35(18-4-1)53(36-19-5-2-6-20-36)47-30-16-9-23-39(47)49(37-21-7-14-28-45(37)52-46-29-15-8-22-38(46)49)40-33-34(31-32-48(40)53)50-41-24-10-12-26-43(41)51-44-27-13-11-25-42(44)50;1-3-17-35(18-4-1)53(36-19-5-2-6-20-36)47-30-16-9-23-39(47)49(37-21-7-12-26-43(37)51-44-27-13-8-22-38(44)49)40-33-34(31-32-48(40)53)50-41-24-10-14-28-45(41)52-46-29-15-11-25-42(46)50;1-3-17-35(18-4-1)52(36-19-5-2-6-20-36)47-30-16-11-25-41(47)49(39-23-9-14-28-45(39)51-46-29-15-10-24-40(46)49)42-33-34(31-32-48(42)52)50-43-26-12-7-21-37(43)38-22-8-13-27-44(38)50/h1-37H;3-35H,1-2H3;2*1-33H;1-33H
InChIKeyAJFUPDGKBYQMGX-UHFFFAOYSA-N
MW3646.06 g/mol
LogP50.60
Rot. Bonds16

About 9-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)carbazole;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)-9,9-dimethylacridine;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenothiazine;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenoxazine;9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenyl]carbazole

9-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)carbazole;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)-9,9-dimethylacridine;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenothiazine;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenoxazine;9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenyl]carbazole (PubChem CID 157132510) has the molecular formula C254H175N5OS6Si5 and a molecular weight of 3646.06 g/mol. Its IUPAC name is 9-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)carbazole;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)-9,9-dimethylacridine;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenothiazine;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenoxazine;9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)carbazole;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)-9,9-dimethylacridine;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenothiazine;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenoxazine;9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenyl]carbazole
PubChem CID157132510
Molecular FormulaC254H175N5OS6Si5
Molecular Weight3646.06 g/mol
Exact Mass3642.10
IUPAC Name9-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)carbazole;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)-9,9-dimethylacridine;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenothiazine;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenoxazine;9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenyl]carbazole
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccccc2[Si]3(c2ccccc2)c2ccccc2)c2ccccc21.c1ccc([Si]2(c3ccccc3)c3ccccc3C3(c4ccccc4Sc4ccccc43)c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3C3(c4ccccc4Sc4ccccc43)c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3C3(c4ccccc4Sc4ccccc43)c3cc(N4c5ccccc5Oc5ccccc54)ccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3C3(c4ccccc4Sc4ccccc43)c3cc(N4c5ccccc5Sc5ccccc54)ccc32)cc1
InChIInChI=1S/C55H37NSSi.C52H39NSSi.C49H33NOSSi.C49H33NS2Si.C49H33NSSi/c1-3-17-41(18-4-1)58(42-19-5-2-6-20-42)53-30-16-11-25-47(53)55(45-23-9-14-28-51(45)57-52-29-15-10-24-46(52)55)48-37-39(33-36-54(48)58)38-31-34-40(35-32-38)56-49-26-12-7-21-43(49)44-22-8-13-27-50(44)56;1-51(2)39-23-9-14-28-45(39)53(46-29-15-10-24-40(46)51)36-33-34-50-44(35-36)52(41-25-11-16-30-47(41)54-48-31-17-12-26-42(48)52)43-27-13-18-32-49(43)55(50,37-19-5-3-6-20-37)38-21-7-4-8-22-38;1-3-17-35(18-4-1)53(36-19-5-2-6-20-36)47-30-16-9-23-39(47)49(37-21-7-14-28-45(37)52-46-29-15-8-22-38(46)49)40-33-34(31-32-48(40)53)50-41-24-10-12-26-43(41)51-44-27-13-11-25-42(44)50;1-3-17-35(18-4-1)53(36-19-5-2-6-20-36)47-30-16-9-23-39(47)49(37-21-7-12-26-43(37)51-44-27-13-8-22-38(44)49)40-33-34(31-32-48(40)53)50-41-24-10-14-28-45(41)52-46-29-15-11-25-42(46)50;1-3-17-35(18-4-1)52(36-19-5-2-6-20-36)47-30-16-11-25-41(47)49(39-23-9-14-28-45(39)51-46-29-15-10-24-40(46)49)42-33-34(31-32-48(42)52)50-43-26-12-7-21-37(43)38-22-8-13-27-44(38)50/h1-37H;3-35H,1-2H3;2*1-33H;1-33H
InChIKeyAJFUPDGKBYQMGX-UHFFFAOYSA-N
XLogP50.60
TPSA28.81 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms271
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003646.06
LogP ≤ 550.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 9-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)carbazole;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)-9,9-dimethylacridine;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenothiazine;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenoxazine;9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenyl]carbazole?
The IUPAC name of 9-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)carbazole;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)-9,9-dimethylacridine;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenothiazine;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenoxazine;9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenyl]carbazole (CID 157132510) is 9-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)carbazole;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)-9,9-dimethylacridine;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenothiazine;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenoxazine;9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)carbazole;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)-9,9-dimethylacridine;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenothiazine;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenoxazine;9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenyl]carbazole?
The canonical SMILES for 9-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)carbazole;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)-9,9-dimethylacridine;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenothiazine;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenoxazine;9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenyl]carbazole is CC1(C)c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccccc2[Si]3(c2ccccc2)c2ccccc2)c2ccccc21.c1ccc([Si]2(c3ccccc3)c3ccccc3C3(c4ccccc4Sc4ccccc43)c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3C3(c4ccccc4Sc4ccccc43)c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3C3(c4ccccc4Sc4ccccc43)c3cc(N4c5ccccc5Oc5ccccc54)ccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3C3(c4ccccc4Sc4ccccc43)c3cc(N4c5ccccc5Sc5ccccc54)ccc32)cc1.
What is the InChIKey of 9-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)carbazole;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)-9,9-dimethylacridine;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenothiazine;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenoxazine;9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenyl]carbazole?
The InChIKey is AJFUPDGKBYQMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NSSi.C52H39NSSi.C49H33NOSSi.C49H33NS2Si.C49H33NSSi/c1-3-17-41(18-4-1)58(42-19-5-2-6-20-42)53-30-16-11-25-47(53)55(45-23-9-14-28-51(45)57-52-29-15-10-24-46(52)55)48-37-39(33-36-54(48)58)38-31-34-40(35-32-38)56-49-26-12-7-21-43(49)44-22-8-13-27-50(44)56;1-51(2)39-23-9-14-28-45(39)53(46-29-15-10-24-40(46)51)36-33-34-50-44(35-36)52(41-25-11-16-30-47(41)54-48-31-17-12-26-42(48)52)43-27-13-18-32-49(43)55(50,37-19-5-3-6-20-37)38-21-7-4-8-22-38;1-3-17-35(18-4-1)53(36-19-5-2-6-20-36)47-30-16-9-23-39(47)49(37-21-7-14-28-45(37)52-46-29-15-8-22-38(46)49)40-33-34(31-32-48(40)53)50-41-24-10-12-26-43(41)51-44-27-13-11-25-42(44)50;1-3-17-35(18-4-1)53(36-19-5-2-6-20-36)47-30-16-9-23-39(47)49(37-21-7-12-26-43(37)51-44-27-13-8-22-38(44)49)40-33-34(31-32-48(40)53)50-41-24-10-14-28-45(41)52-46-29-15-11-25-42(46)50;1-3-17-35(18-4-1)52(36-19-5-2-6-20-36)47-30-16-11-25-41(47)49(39-23-9-14-28-45(39)51-46-29-15-10-24-40(46)49)42-33-34(31-32-48(42)52)50-43-26-12-7-21-37(43)38-22-8-13-27-44(38)50/h1-37H;3-35H,1-2H3;2*1-33H;1-33H.
What are the key properties of 9-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)carbazole;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)-9,9-dimethylacridine;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenothiazine;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenoxazine;9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenyl]carbazole?
9-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)carbazole;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)-9,9-dimethylacridine;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenothiazine;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenoxazine;9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenyl]carbazole has a molecular weight of 3646.06 g/mol, XLogP of 50.60, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)carbazole;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)-9,9-dimethylacridine;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenothiazine;10-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenoxazine;9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenyl]carbazole is sourced from PubChem (CID 157132510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).