5-carbazol-9-yl-2-[2-(9,9-dimethylacridin-10-yl)-10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl]benzene-1,3-dicarbonitrile;2-(3-carbazol-9-yl-9,9,10,10-tetramethylanthracen-1-yl)benzene-1,3-dicarbonitrile;2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9,9-diphenylxanthen-4-yl]benzene-1,3-dicarbonitrile;2-[2-(3,6-diphenylcarbazol-9-yl)dibenzothiophen-4-yl]benzene-1,3-dicarbonitrile

C188H127N13OS2Si2 — CID 157367718

IUPAC5-carbazol-9-yl-2-[2-(9,9-dimethylacridin-10-yl)-10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl]benzene-1,3-dicarbonitrile;2-(3-carbazol-9-yl-9,9,10,10-tetramethylanthracen-1-yl)benzene-1,3-dicarbonitrile;2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9,9-diphenylxanthen-4-yl]benzene-1,3-dicarbonitrile;2-[2-(3,6-diphenylcarbazol-9-yl)dibenzothiophen-4-yl]benzene-1,3-dicarbonitrile
SMILESCC1(C)c2ccccc2C(C)(C)c2c(-c3c(C#N)cccc3C#N)cc(-n3c4ccccc4c4ccccc43)cc21.CC1(C)c2ccccc2N(c2cc(-c3c(C#N)cc(-n4c5ccccc5c5ccccc54)cc3C#N)c3c(c2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2S3)c2ccccc21.C[Si]1(C)c2ccccc2N(c2cc(-c3c(C#N)cccc3C#N)c3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2O3)c2ccccc21.N#Cc1cccc(C#N)c1-c1cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc2c1sc1ccccc12
InChIInChI=1S/C59H40N4SSi.C47H33N3OSi.C44H25N3S.C38H29N3/c1-59(2)48-25-11-15-29-52(48)63(53-30-16-12-26-49(53)59)42-35-47(57-39(37-60)33-41(34-40(57)38-61)62-50-27-13-9-23-45(50)46-24-10-14-28-51(46)62)58-56(36-42)65(43-19-5-3-6-20-43,44-21-7-4-8-22-44)55-32-18-17-31-54(55)64-58;1-52(2)43-26-13-10-23-40(43)50(41-24-11-14-27-44(41)52)36-28-37(45-32(30-48)16-15-17-33(45)31-49)46-39(29-36)47(34-18-5-3-6-19-34,35-20-7-4-8-21-35)38-22-9-12-25-42(38)51-46;45-26-32-14-9-15-33(27-46)43(32)39-25-34(24-38-35-16-7-8-17-42(35)48-44(38)39)47-40-20-18-30(28-10-3-1-4-11-28)22-36(40)37-23-31(19-21-41(37)47)29-12-5-2-6-13-29;1-37(2)30-16-7-8-17-31(30)38(3,4)36-29(35-24(22-39)12-11-13-25(35)23-40)20-26(21-32(36)37)41-33-18-9-5-14-27(33)28-15-6-10-19-34(28)41/h3-36H,1-2H3;3-29H,1-2H3;1-25H;5-21H,1-4H3
InChIKeyBJJQLYWFVIPZKI-UHFFFAOYSA-N
MW2704.48 g/mol
LogP43.39
Rot. Bonds15

About 5-carbazol-9-yl-2-[2-(9,9-dimethylacridin-10-yl)-10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl]benzene-1,3-dicarbonitrile;2-(3-carbazol-9-yl-9,9,10,10-tetramethylanthracen-1-yl)benzene-1,3-dicarbonitrile;2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9,9-diphenylxanthen-4-yl]benzene-1,3-dicarbonitrile;2-[2-(3,6-diphenylcarbazol-9-yl)dibenzothiophen-4-yl]benzene-1,3-dicarbonitrile

5-carbazol-9-yl-2-[2-(9,9-dimethylacridin-10-yl)-10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl]benzene-1,3-dicarbonitrile;2-(3-carbazol-9-yl-9,9,10,10-tetramethylanthracen-1-yl)benzene-1,3-dicarbonitrile;2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9,9-diphenylxanthen-4-yl]benzene-1,3-dicarbonitrile;2-[2-(3,6-diphenylcarbazol-9-yl)dibenzothiophen-4-yl]benzene-1,3-dicarbonitrile (PubChem CID 157367718) has the molecular formula C188H127N13OS2Si2 and a molecular weight of 2704.48 g/mol. Its IUPAC name is 5-carbazol-9-yl-2-[2-(9,9-dimethylacridin-10-yl)-10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl]benzene-1,3-dicarbonitrile;2-(3-carbazol-9-yl-9,9,10,10-tetramethylanthracen-1-yl)benzene-1,3-dicarbonitrile;2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9,9-diphenylxanthen-4-yl]benzene-1,3-dicarbonitrile;2-[2-(3,6-diphenylcarbazol-9-yl)dibenzothiophen-4-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-carbazol-9-yl-2-[2-(9,9-dimethylacridin-10-yl)-10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl]benzene-1,3-dicarbonitrile;2-(3-carbazol-9-yl-9,9,10,10-tetramethylanthracen-1-yl)benzene-1,3-dicarbonitrile;2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9,9-diphenylxanthen-4-yl]benzene-1,3-dicarbonitrile;2-[2-(3,6-diphenylcarbazol-9-yl)dibenzothiophen-4-yl]benzene-1,3-dicarbonitrile
PubChem CID157367718
Molecular FormulaC188H127N13OS2Si2
Molecular Weight2704.48 g/mol
Exact Mass2701.93
IUPAC Name5-carbazol-9-yl-2-[2-(9,9-dimethylacridin-10-yl)-10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl]benzene-1,3-dicarbonitrile;2-(3-carbazol-9-yl-9,9,10,10-tetramethylanthracen-1-yl)benzene-1,3-dicarbonitrile;2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9,9-diphenylxanthen-4-yl]benzene-1,3-dicarbonitrile;2-[2-(3,6-diphenylcarbazol-9-yl)dibenzothiophen-4-yl]benzene-1,3-dicarbonitrile
SMILESCC1(C)c2ccccc2C(C)(C)c2c(-c3c(C#N)cccc3C#N)cc(-n3c4ccccc4c4ccccc43)cc21.CC1(C)c2ccccc2N(c2cc(-c3c(C#N)cc(-n4c5ccccc5c5ccccc54)cc3C#N)c3c(c2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2S3)c2ccccc21.C[Si]1(C)c2ccccc2N(c2cc(-c3c(C#N)cccc3C#N)c3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2O3)c2ccccc21.N#Cc1cccc(C#N)c1-c1cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc2c1sc1ccccc12
InChIInChI=1S/C59H40N4SSi.C47H33N3OSi.C44H25N3S.C38H29N3/c1-59(2)48-25-11-15-29-52(48)63(53-30-16-12-26-49(53)59)42-35-47(57-39(37-60)33-41(34-40(57)38-61)62-50-27-13-9-23-45(50)46-24-10-14-28-51(46)62)58-56(36-42)65(43-19-5-3-6-20-43,44-21-7-4-8-22-44)55-32-18-17-31-54(55)64-58;1-52(2)43-26-13-10-23-40(43)50(41-24-11-14-27-44(41)52)36-28-37(45-32(30-48)16-15-17-33(45)31-49)46-39(29-36)47(34-18-5-3-6-19-34,35-20-7-4-8-21-35)38-22-9-12-25-42(38)51-46;45-26-32-14-9-15-33(27-46)43(32)39-25-34(24-38-35-16-7-8-17-42(35)48-44(38)39)47-40-20-18-30(28-10-3-1-4-11-28)22-36(40)37-23-31(19-21-41(37)47)29-12-5-2-6-13-29;1-37(2)30-16-7-8-17-31(30)38(3,4)36-29(35-24(22-39)12-11-13-25(35)23-40)20-26(21-32(36)37)41-33-18-9-5-14-27(33)28-15-6-10-19-34(28)41/h3-36H,1-2H3;3-29H,1-2H3;1-25H;5-21H,1-4H3
InChIKeyBJJQLYWFVIPZKI-UHFFFAOYSA-N
XLogP43.39
TPSA220.82 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002704.48
LogP ≤ 543.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 5-carbazol-9-yl-2-[2-(9,9-dimethylacridin-10-yl)-10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl]benzene-1,3-dicarbonitrile;2-(3-carbazol-9-yl-9,9,10,10-tetramethylanthracen-1-yl)benzene-1,3-dicarbonitrile;2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9,9-diphenylxanthen-4-yl]benzene-1,3-dicarbonitrile;2-[2-(3,6-diphenylcarbazol-9-yl)dibenzothiophen-4-yl]benzene-1,3-dicarbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-2-[2-(9,9-dimethylacridin-10-yl)-10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl]benzene-1,3-dicarbonitrile;2-(3-carbazol-9-yl-9,9,10,10-tetramethylanthracen-1-yl)benzene-1,3-dicarbonitrile;2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9,9-diphenylxanthen-4-yl]benzene-1,3-dicarbonitrile;2-[2-(3,6-diphenylcarbazol-9-yl)dibenzothiophen-4-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-carbazol-9-yl-2-[2-(9,9-dimethylacridin-10-yl)-10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl]benzene-1,3-dicarbonitrile;2-(3-carbazol-9-yl-9,9,10,10-tetramethylanthracen-1-yl)benzene-1,3-dicarbonitrile;2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9,9-diphenylxanthen-4-yl]benzene-1,3-dicarbonitrile;2-[2-(3,6-diphenylcarbazol-9-yl)dibenzothiophen-4-yl]benzene-1,3-dicarbonitrile (CID 157367718) is 5-carbazol-9-yl-2-[2-(9,9-dimethylacridin-10-yl)-10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl]benzene-1,3-dicarbonitrile;2-(3-carbazol-9-yl-9,9,10,10-tetramethylanthracen-1-yl)benzene-1,3-dicarbonitrile;2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9,9-diphenylxanthen-4-yl]benzene-1,3-dicarbonitrile;2-[2-(3,6-diphenylcarbazol-9-yl)dibenzothiophen-4-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-carbazol-9-yl-2-[2-(9,9-dimethylacridin-10-yl)-10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl]benzene-1,3-dicarbonitrile;2-(3-carbazol-9-yl-9,9,10,10-tetramethylanthracen-1-yl)benzene-1,3-dicarbonitrile;2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9,9-diphenylxanthen-4-yl]benzene-1,3-dicarbonitrile;2-[2-(3,6-diphenylcarbazol-9-yl)dibenzothiophen-4-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-carbazol-9-yl-2-[2-(9,9-dimethylacridin-10-yl)-10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl]benzene-1,3-dicarbonitrile;2-(3-carbazol-9-yl-9,9,10,10-tetramethylanthracen-1-yl)benzene-1,3-dicarbonitrile;2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9,9-diphenylxanthen-4-yl]benzene-1,3-dicarbonitrile;2-[2-(3,6-diphenylcarbazol-9-yl)dibenzothiophen-4-yl]benzene-1,3-dicarbonitrile is CC1(C)c2ccccc2C(C)(C)c2c(-c3c(C#N)cccc3C#N)cc(-n3c4ccccc4c4ccccc43)cc21.CC1(C)c2ccccc2N(c2cc(-c3c(C#N)cc(-n4c5ccccc5c5ccccc54)cc3C#N)c3c(c2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2S3)c2ccccc21.C[Si]1(C)c2ccccc2N(c2cc(-c3c(C#N)cccc3C#N)c3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2O3)c2ccccc21.N#Cc1cccc(C#N)c1-c1cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc2c1sc1ccccc12.
What is the InChIKey of 5-carbazol-9-yl-2-[2-(9,9-dimethylacridin-10-yl)-10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl]benzene-1,3-dicarbonitrile;2-(3-carbazol-9-yl-9,9,10,10-tetramethylanthracen-1-yl)benzene-1,3-dicarbonitrile;2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9,9-diphenylxanthen-4-yl]benzene-1,3-dicarbonitrile;2-[2-(3,6-diphenylcarbazol-9-yl)dibenzothiophen-4-yl]benzene-1,3-dicarbonitrile?
The InChIKey is BJJQLYWFVIPZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N4SSi.C47H33N3OSi.C44H25N3S.C38H29N3/c1-59(2)48-25-11-15-29-52(48)63(53-30-16-12-26-49(53)59)42-35-47(57-39(37-60)33-41(34-40(57)38-61)62-50-27-13-9-23-45(50)46-24-10-14-28-51(46)62)58-56(36-42)65(43-19-5-3-6-20-43,44-21-7-4-8-22-44)55-32-18-17-31-54(55)64-58;1-52(2)43-26-13-10-23-40(43)50(41-24-11-14-27-44(41)52)36-28-37(45-32(30-48)16-15-17-33(45)31-49)46-39(29-36)47(34-18-5-3-6-19-34,35-20-7-4-8-21-35)38-22-9-12-25-42(38)51-46;45-26-32-14-9-15-33(27-46)43(32)39-25-34(24-38-35-16-7-8-17-42(35)48-44(38)39)47-40-20-18-30(28-10-3-1-4-11-28)22-36(40)37-23-31(19-21-41(37)47)29-12-5-2-6-13-29;1-37(2)30-16-7-8-17-31(30)38(3,4)36-29(35-24(22-39)12-11-13-25(35)23-40)20-26(21-32(36)37)41-33-18-9-5-14-27(33)28-15-6-10-19-34(28)41/h3-36H,1-2H3;3-29H,1-2H3;1-25H;5-21H,1-4H3.
What are the key properties of 5-carbazol-9-yl-2-[2-(9,9-dimethylacridin-10-yl)-10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl]benzene-1,3-dicarbonitrile;2-(3-carbazol-9-yl-9,9,10,10-tetramethylanthracen-1-yl)benzene-1,3-dicarbonitrile;2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9,9-diphenylxanthen-4-yl]benzene-1,3-dicarbonitrile;2-[2-(3,6-diphenylcarbazol-9-yl)dibenzothiophen-4-yl]benzene-1,3-dicarbonitrile?
5-carbazol-9-yl-2-[2-(9,9-dimethylacridin-10-yl)-10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl]benzene-1,3-dicarbonitrile;2-(3-carbazol-9-yl-9,9,10,10-tetramethylanthracen-1-yl)benzene-1,3-dicarbonitrile;2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9,9-diphenylxanthen-4-yl]benzene-1,3-dicarbonitrile;2-[2-(3,6-diphenylcarbazol-9-yl)dibenzothiophen-4-yl]benzene-1,3-dicarbonitrile has a molecular weight of 2704.48 g/mol, XLogP of 43.39, 15 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-2-[2-(9,9-dimethylacridin-10-yl)-10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl]benzene-1,3-dicarbonitrile;2-(3-carbazol-9-yl-9,9,10,10-tetramethylanthracen-1-yl)benzene-1,3-dicarbonitrile;2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9,9-diphenylxanthen-4-yl]benzene-1,3-dicarbonitrile;2-[2-(3,6-diphenylcarbazol-9-yl)dibenzothiophen-4-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 157367718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).