6-(1,1-dideuterioethyl)-9,9-dimethyl-2-tetraphenylen-2-yl-3-(trideuteriomethyl)xanthene;(9,9-dimethylxanthen-4-yl)-[3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;4'-tetraphenylen-2-yl-3',6'-bis(trideuteriomethyl)spiro[9H-anthracene-10,9'-thioxanthene];4'-tetraphenylen-2-yl-3',7'-bis(trideuteriomethyl)spiro[10H-benzo[b][1]benzosiline-5,10'-benzo[b][1,4]benzothiasiline]

C193H146O3S2Si2 — CID 157296608

IUPAC6-(1,1-dideuterioethyl)-9,9-dimethyl-2-tetraphenylen-2-yl-3-(trideuteriomethyl)xanthene;(9,9-dimethylxanthen-4-yl)-[3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;4'-tetraphenylen-2-yl-3',6'-bis(trideuteriomethyl)spiro[9H-anthracene-10,9'-thioxanthene];4'-tetraphenylen-2-yl-3',7'-bis(trideuteriomethyl)spiro[10H-benzo[b][1]benzosiline-5,10'-benzo[b][1,4]benzothiasiline]
SMILESCC1(C)c2ccccc2Oc2c(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc5c4Oc4ccccc4C5(C)C)c3)cccc21.[2H]C([2H])([2H])c1cc2c(cc1-c1ccc3c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-3)C(C)(C)c1ccc(C([2H])([2H])C)cc1O2.[2H]C([2H])([2H])c1ccc2c(c1)Sc1c(ccc(C([2H])([2H])[2H])c1-c1ccc3c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-3)C21c2ccccc2Cc2ccccc21.[2H]C([2H])([2H])c1ccc2c(c1)Sc1c(ccc(C([2H])([2H])[2H])c1-c1ccc3c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-3)[Si]21c2ccccc2Cc2ccccc21
InChIInChI=1S/C52H36S.C51H36SSi.C48H40O2Si.C42H34O/c1-32-23-27-47-49(29-32)53-51-48(52(47)45-21-11-3-13-34(45)30-35-14-4-12-22-46(35)52)28-24-33(2)50(51)36-25-26-43-41-19-8-7-17-39(41)37-15-5-6-16-38(37)40-18-9-10-20-42(40)44(43)31-36;1-32-23-27-48-45(29-32)52-51-49(53(48)46-21-11-3-13-34(46)30-35-14-4-12-22-47(35)53)28-24-33(2)50(51)36-25-26-43-41-19-8-7-17-39(41)37-15-5-6-16-38(37)40-18-9-10-20-42(40)44(43)31-36;1-47(2)38-25-11-13-29-42(38)49-45-37(24-16-27-40(45)47)33-18-15-23-36(32-33)51(34-19-7-5-8-20-34,35-21-9-6-10-22-35)44-31-17-28-41-46(44)50-43-30-14-12-26-39(43)48(41,3)4;1-5-27-18-21-38-41(23-27)43-40-22-26(2)36(25-39(40)42(38,3)4)28-19-20-35-33-16-9-8-14-31(33)29-12-6-7-13-30(29)32-15-10-11-17-34(32)37(35)24-28/h2*3-29,31H,30H2,1-2H3;5-32H,1-4H3;6-25H,5H2,1-4H3/b2*39-37-,40-38-,43-41-,44-42-;;31-29-,32-30-,35-33-,37-34-/i2*1D3,2D3;;2D3,5D2
InChIKeyBBKOEPAYXUIWNP-JMEFDQBXSA-N
MW2650.70 g/mol
LogP45.63
Rot. Bonds14

About 6-(1,1-dideuterioethyl)-9,9-dimethyl-2-tetraphenylen-2-yl-3-(trideuteriomethyl)xanthene;(9,9-dimethylxanthen-4-yl)-[3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;4'-tetraphenylen-2-yl-3',6'-bis(trideuteriomethyl)spiro[9H-anthracene-10,9'-thioxanthene];4'-tetraphenylen-2-yl-3',7'-bis(trideuteriomethyl)spiro[10H-benzo[b][1]benzosiline-5,10'-benzo[b][1,4]benzothiasiline]

6-(1,1-dideuterioethyl)-9,9-dimethyl-2-tetraphenylen-2-yl-3-(trideuteriomethyl)xanthene;(9,9-dimethylxanthen-4-yl)-[3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;4'-tetraphenylen-2-yl-3',6'-bis(trideuteriomethyl)spiro[9H-anthracene-10,9'-thioxanthene];4'-tetraphenylen-2-yl-3',7'-bis(trideuteriomethyl)spiro[10H-benzo[b][1]benzosiline-5,10'-benzo[b][1,4]benzothiasiline] (PubChem CID 157296608) has the molecular formula C193H146O3S2Si2 and a molecular weight of 2650.70 g/mol. Its IUPAC name is 6-(1,1-dideuterioethyl)-9,9-dimethyl-2-tetraphenylen-2-yl-3-(trideuteriomethyl)xanthene;(9,9-dimethylxanthen-4-yl)-[3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;4'-tetraphenylen-2-yl-3',6'-bis(trideuteriomethyl)spiro[9H-anthracene-10,9'-thioxanthene];4'-tetraphenylen-2-yl-3',7'-bis(trideuteriomethyl)spiro[10H-benzo[b][1]benzosiline-5,10'-benzo[b][1,4]benzothiasiline].

Molecular Properties

Compound Name6-(1,1-dideuterioethyl)-9,9-dimethyl-2-tetraphenylen-2-yl-3-(trideuteriomethyl)xanthene;(9,9-dimethylxanthen-4-yl)-[3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;4'-tetraphenylen-2-yl-3',6'-bis(trideuteriomethyl)spiro[9H-anthracene-10,9'-thioxanthene];4'-tetraphenylen-2-yl-3',7'-bis(trideuteriomethyl)spiro[10H-benzo[b][1]benzosiline-5,10'-benzo[b][1,4]benzothiasiline]
PubChem CID157296608
Molecular FormulaC193H146O3S2Si2
Molecular Weight2650.70 g/mol
Exact Mass2648.13
IUPAC Name6-(1,1-dideuterioethyl)-9,9-dimethyl-2-tetraphenylen-2-yl-3-(trideuteriomethyl)xanthene;(9,9-dimethylxanthen-4-yl)-[3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;4'-tetraphenylen-2-yl-3',6'-bis(trideuteriomethyl)spiro[9H-anthracene-10,9'-thioxanthene];4'-tetraphenylen-2-yl-3',7'-bis(trideuteriomethyl)spiro[10H-benzo[b][1]benzosiline-5,10'-benzo[b][1,4]benzothiasiline]
SMILESCC1(C)c2ccccc2Oc2c(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc5c4Oc4ccccc4C5(C)C)c3)cccc21.[2H]C([2H])([2H])c1cc2c(cc1-c1ccc3c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-3)C(C)(C)c1ccc(C([2H])([2H])C)cc1O2.[2H]C([2H])([2H])c1ccc2c(c1)Sc1c(ccc(C([2H])([2H])[2H])c1-c1ccc3c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-3)C21c2ccccc2Cc2ccccc21.[2H]C([2H])([2H])c1ccc2c(c1)Sc1c(ccc(C([2H])([2H])[2H])c1-c1ccc3c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-3)[Si]21c2ccccc2Cc2ccccc21
InChIInChI=1S/C52H36S.C51H36SSi.C48H40O2Si.C42H34O/c1-32-23-27-47-49(29-32)53-51-48(52(47)45-21-11-3-13-34(45)30-35-14-4-12-22-46(35)52)28-24-33(2)50(51)36-25-26-43-41-19-8-7-17-39(41)37-15-5-6-16-38(37)40-18-9-10-20-42(40)44(43)31-36;1-32-23-27-48-45(29-32)52-51-49(53(48)46-21-11-3-13-34(46)30-35-14-4-12-22-47(35)53)28-24-33(2)50(51)36-25-26-43-41-19-8-7-17-39(41)37-15-5-6-16-38(37)40-18-9-10-20-42(40)44(43)31-36;1-47(2)38-25-11-13-29-42(38)49-45-37(24-16-27-40(45)47)33-18-15-23-36(32-33)51(34-19-7-5-8-20-34,35-21-9-6-10-22-35)44-31-17-28-41-46(44)50-43-30-14-12-26-39(43)48(41,3)4;1-5-27-18-21-38-41(23-27)43-40-22-26(2)36(25-39(40)42(38,3)4)28-19-20-35-33-16-9-8-14-31(33)29-12-6-7-13-30(29)32-15-10-11-17-34(32)37(35)24-28/h2*3-29,31H,30H2,1-2H3;5-32H,1-4H3;6-25H,5H2,1-4H3/b2*39-37-,40-38-,43-41-,44-42-;;31-29-,32-30-,35-33-,37-34-/i2*1D3,2D3;;2D3,5D2
InChIKeyBBKOEPAYXUIWNP-JMEFDQBXSA-N
XLogP45.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms200
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002650.70
LogP ≤ 545.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(1,1-dideuterioethyl)-9,9-dimethyl-2-tetraphenylen-2-yl-3-(trideuteriomethyl)xanthene;(9,9-dimethylxanthen-4-yl)-[3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;4'-tetraphenylen-2-yl-3',6'-bis(trideuteriomethyl)spiro[9H-anthracene-10,9'-thioxanthene];4'-tetraphenylen-2-yl-3',7'-bis(trideuteriomethyl)spiro[10H-benzo[b][1]benzosiline-5,10'-benzo[b][1,4]benzothiasiline] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis[4-tert-butyl-3-[9,9-dimethyl-3,6-bis(trideuteriomethyl)xanthen-4-yl]phenyl]-diphenylsilane;bis[3-[9,9-dimethyl-3,6-bis(trideuteriomethyl)xanthen-4-yl]-4-(trideuteriomethyl)phenyl]-diphenylsilane;[4-tert-butyl-3-[6-(1,1-dideuterioethyl)-9,9-dimethyl-3-(trideuteriomethyl)xanthen-4-yl]phenyl]-(9,9-dimethylxanthen-4-yl)-diphenylsilane;[4-(1-deuteriocyclopentyl)-3-[6-(1,1-dideuterioethyl)-9,9-dimethyl-3-(trideuteriomethyl)xanthen-4-yl]phenyl]-(9,9-dimethylxanthen-4-yl)-diphenylsilane
CID 159385068
bis[3-[9,9-dimethyl-3,6-bis(trideuteriomethyl)xanthen-4-yl]phenyl]-diphenylsilane
CID 140831734
2-[3,6,9,9-tetrakis(trideuteriomethyl)xanthen-4-yl]-5-tetraphenylen-2-yl-3,6,9,9-tetrakis(trideuteriomethyl)xanthene
CID 168793077
6-(1,1-dideuterioethyl)-9,9-dimethyl-2-tetraphenylen-2-yl-3-(trideuteriomethyl)thioxanthene
CID 158983834
bis[4-tert-butyl-3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;bis(4-tert-butyl-3-phenoxathiin-4-ylphenyl)-diphenylsilane;bis(4-tert-butyl-3-thianthren-1-ylphenyl)-diphenylsilane;3-tert-butyl-4-[3-[5-(3-tert-butyl-9,9-dimethylxanthen-4-yl)-2-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)phenyl]-9,9-dimethylxanthene
CID 157157714
bis[3-(9,9-dimethylxanthen-4-yl)-4-(trideuteriomethyl)phenyl]-methyl-phenylsilane
CID 140831756
2-[3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-6-tetraphenylen-2-yl-3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasiline
CID 168793005
diphenyl-(10,10'-spirobi[benzo[b][1,4]benzoxasiline]-4-yl)-[3-[4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]silane;diphenyl-(9,9'-spirobi[thioxanthene]-4-yl)-[3-[7-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]benzimidazolo[1,2-a]benzimidazol-5-yl]phenyl]silane;diphenyl-(9,9'-spirobi[xanthene]-4-yl)-[3-[4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]silane;diphenyl-(9,9'-spirobi[xanthene]-4-yl)-[3-[4-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]silane
CID 159282237
(3-bromophenyl)-(9,9-dimethylxanthen-4-yl)-diphenylsilane
CID 140920039
8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-10-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilepin-8-yl]benzimidazolo[2,1-b][1,3]benzothiazole;8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-1-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1]benzoxepin-3-yl]benzimidazolo[2,1-b][1,3]benzothiazole;5,5,6,6-tetramethyl-11-[4-tetraphenylen-2-yl-3,6-bis(trideuteriomethyl)-9,9'-spirobi[xanthene]-3'-yl]benzo[b][1]benzazepine
CID 160662923
4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-3-(trideuteriomethyl)-10,10'-spirobi[benzo[b][1,4]benzothiasiline]
CID 140947611
4-[5-(3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaen-17-yl)-9,9-dimethyl-3,6-bis(trideuteriomethyl)xanthen-2-yl]-3-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzoxazole
CID 140920010

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dideuterioethyl)-9,9-dimethyl-2-tetraphenylen-2-yl-3-(trideuteriomethyl)xanthene;(9,9-dimethylxanthen-4-yl)-[3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;4'-tetraphenylen-2-yl-3',6'-bis(trideuteriomethyl)spiro[9H-anthracene-10,9'-thioxanthene];4'-tetraphenylen-2-yl-3',7'-bis(trideuteriomethyl)spiro[10H-benzo[b][1]benzosiline-5,10'-benzo[b][1,4]benzothiasiline]?
The IUPAC name of 6-(1,1-dideuterioethyl)-9,9-dimethyl-2-tetraphenylen-2-yl-3-(trideuteriomethyl)xanthene;(9,9-dimethylxanthen-4-yl)-[3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;4'-tetraphenylen-2-yl-3',6'-bis(trideuteriomethyl)spiro[9H-anthracene-10,9'-thioxanthene];4'-tetraphenylen-2-yl-3',7'-bis(trideuteriomethyl)spiro[10H-benzo[b][1]benzosiline-5,10'-benzo[b][1,4]benzothiasiline] (CID 157296608) is 6-(1,1-dideuterioethyl)-9,9-dimethyl-2-tetraphenylen-2-yl-3-(trideuteriomethyl)xanthene;(9,9-dimethylxanthen-4-yl)-[3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;4'-tetraphenylen-2-yl-3',6'-bis(trideuteriomethyl)spiro[9H-anthracene-10,9'-thioxanthene];4'-tetraphenylen-2-yl-3',7'-bis(trideuteriomethyl)spiro[10H-benzo[b][1]benzosiline-5,10'-benzo[b][1,4]benzothiasiline].
What is the SMILES notation for 6-(1,1-dideuterioethyl)-9,9-dimethyl-2-tetraphenylen-2-yl-3-(trideuteriomethyl)xanthene;(9,9-dimethylxanthen-4-yl)-[3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;4'-tetraphenylen-2-yl-3',6'-bis(trideuteriomethyl)spiro[9H-anthracene-10,9'-thioxanthene];4'-tetraphenylen-2-yl-3',7'-bis(trideuteriomethyl)spiro[10H-benzo[b][1]benzosiline-5,10'-benzo[b][1,4]benzothiasiline]?
The canonical SMILES for 6-(1,1-dideuterioethyl)-9,9-dimethyl-2-tetraphenylen-2-yl-3-(trideuteriomethyl)xanthene;(9,9-dimethylxanthen-4-yl)-[3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;4'-tetraphenylen-2-yl-3',6'-bis(trideuteriomethyl)spiro[9H-anthracene-10,9'-thioxanthene];4'-tetraphenylen-2-yl-3',7'-bis(trideuteriomethyl)spiro[10H-benzo[b][1]benzosiline-5,10'-benzo[b][1,4]benzothiasiline] is CC1(C)c2ccccc2Oc2c(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc5c4Oc4ccccc4C5(C)C)c3)cccc21.[2H]C([2H])([2H])c1cc2c(cc1-c1ccc3c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-3)C(C)(C)c1ccc(C([2H])([2H])C)cc1O2.[2H]C([2H])([2H])c1ccc2c(c1)Sc1c(ccc(C([2H])([2H])[2H])c1-c1ccc3c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-3)C21c2ccccc2Cc2ccccc21.[2H]C([2H])([2H])c1ccc2c(c1)Sc1c(ccc(C([2H])([2H])[2H])c1-c1ccc3c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-3)[Si]21c2ccccc2Cc2ccccc21.
What is the InChIKey of 6-(1,1-dideuterioethyl)-9,9-dimethyl-2-tetraphenylen-2-yl-3-(trideuteriomethyl)xanthene;(9,9-dimethylxanthen-4-yl)-[3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;4'-tetraphenylen-2-yl-3',6'-bis(trideuteriomethyl)spiro[9H-anthracene-10,9'-thioxanthene];4'-tetraphenylen-2-yl-3',7'-bis(trideuteriomethyl)spiro[10H-benzo[b][1]benzosiline-5,10'-benzo[b][1,4]benzothiasiline]?
The InChIKey is BBKOEPAYXUIWNP-JMEFDQBXSA-N. The full InChI is InChI=1S/C52H36S.C51H36SSi.C48H40O2Si.C42H34O/c1-32-23-27-47-49(29-32)53-51-48(52(47)45-21-11-3-13-34(45)30-35-14-4-12-22-46(35)52)28-24-33(2)50(51)36-25-26-43-41-19-8-7-17-39(41)37-15-5-6-16-38(37)40-18-9-10-20-42(40)44(43)31-36;1-32-23-27-48-45(29-32)52-51-49(53(48)46-21-11-3-13-34(46)30-35-14-4-12-22-47(35)53)28-24-33(2)50(51)36-25-26-43-41-19-8-7-17-39(41)37-15-5-6-16-38(37)40-18-9-10-20-42(40)44(43)31-36;1-47(2)38-25-11-13-29-42(38)49-45-37(24-16-27-40(45)47)33-18-15-23-36(32-33)51(34-19-7-5-8-20-34,35-21-9-6-10-22-35)44-31-17-28-41-46(44)50-43-30-14-12-26-39(43)48(41,3)4;1-5-27-18-21-38-41(23-27)43-40-22-26(2)36(25-39(40)42(38,3)4)28-19-20-35-33-16-9-8-14-31(33)29-12-6-7-13-30(29)32-15-10-11-17-34(32)37(35)24-28/h2*3-29,31H,30H2,1-2H3;5-32H,1-4H3;6-25H,5H2,1-4H3/b2*39-37-,40-38-,43-41-,44-42-;;31-29-,32-30-,35-33-,37-34-/i2*1D3,2D3;;2D3,5D2.
What are the key properties of 6-(1,1-dideuterioethyl)-9,9-dimethyl-2-tetraphenylen-2-yl-3-(trideuteriomethyl)xanthene;(9,9-dimethylxanthen-4-yl)-[3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;4'-tetraphenylen-2-yl-3',6'-bis(trideuteriomethyl)spiro[9H-anthracene-10,9'-thioxanthene];4'-tetraphenylen-2-yl-3',7'-bis(trideuteriomethyl)spiro[10H-benzo[b][1]benzosiline-5,10'-benzo[b][1,4]benzothiasiline]?
6-(1,1-dideuterioethyl)-9,9-dimethyl-2-tetraphenylen-2-yl-3-(trideuteriomethyl)xanthene;(9,9-dimethylxanthen-4-yl)-[3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;4'-tetraphenylen-2-yl-3',6'-bis(trideuteriomethyl)spiro[9H-anthracene-10,9'-thioxanthene];4'-tetraphenylen-2-yl-3',7'-bis(trideuteriomethyl)spiro[10H-benzo[b][1]benzosiline-5,10'-benzo[b][1,4]benzothiasiline] has a molecular weight of 2650.70 g/mol, XLogP of 45.63, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-dideuterioethyl)-9,9-dimethyl-2-tetraphenylen-2-yl-3-(trideuteriomethyl)xanthene;(9,9-dimethylxanthen-4-yl)-[3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;4'-tetraphenylen-2-yl-3',6'-bis(trideuteriomethyl)spiro[9H-anthracene-10,9'-thioxanthene];4'-tetraphenylen-2-yl-3',7'-bis(trideuteriomethyl)spiro[10H-benzo[b][1]benzosiline-5,10'-benzo[b][1,4]benzothiasiline] is sourced from PubChem (CID 157296608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).