9-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile;9-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[5,5-dimethyl-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile

C193H123N17OSSi4 — CID 162261222

IUPAC9-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile;9-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[5,5-dimethyl-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c(c4)-c4cc(-n6c7ccc(C#N)cc7c7cc(C#N)ccc76)ccc4[Si]5(C)C)c3cc21.C[Si]1(C)c2ccc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)cc2-c2cc(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)ccc21.C[Si]1(C)c2ccc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)cc2-c2cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)ccc21.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(c1)-c1cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)ccc1[Si]2(C)C
InChIInChI=1S/C52H33N5Si.C49H34N4Si.C46H28N4OSi.C46H28N4SSi/c1-58(2)51-22-18-35(56-47-20-16-32(30-53)24-39(47)40-25-33(31-54)17-21-48(40)56)26-43(51)44-27-36(19-23-52(44)58)57-46-15-9-7-13-38(46)42-28-41-37-12-6-8-14-45(37)55(49(41)29-50(42)57)34-10-4-3-5-11-34;1-49(2)41-11-7-5-9-33(41)35-25-38-34-10-6-8-12-43(34)53(46(38)26-42(35)49)32-16-20-48-40(24-32)39-23-31(15-19-47(39)54(48,3)4)52-44-17-13-29(27-50)21-36(44)37-22-30(28-51)14-18-45(37)52;1-48-28-13-18-40-35(23-28)34-22-27(26-47)12-17-39(34)49(40)29-14-20-43-36(24-29)37-25-30(15-21-44(37)52(43,2)3)50-38-10-6-4-9-33(38)45-41(50)19-16-32-31-8-5-7-11-42(31)51-46(32)45;1-52(2)43-19-13-29(49-39-16-11-27(25-47)21-34(39)35-22-28(26-48)12-17-40(35)49)23-36(43)37-24-30(14-20-44(37)52)50-38-9-5-3-8-33(38)45-41(50)18-15-32-31-7-4-6-10-42(31)51-46(32)45/h3-29H,1-2H3;5-26H,1-4H3;4-25H,2-3H3;3-24H,1-2H3
InChIKeyZZGWQSZOQIXRAS-UHFFFAOYSA-N
MW2840.64 g/mol
LogP44.06
Rot. Bonds9

About 9-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile;9-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[5,5-dimethyl-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile

9-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile;9-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[5,5-dimethyl-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile (PubChem CID 162261222) has the molecular formula C193H123N17OSSi4 and a molecular weight of 2840.64 g/mol. Its IUPAC name is 9-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile;9-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[5,5-dimethyl-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile;9-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[5,5-dimethyl-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile
PubChem CID162261222
Molecular FormulaC193H123N17OSSi4
Molecular Weight2840.64 g/mol
Exact Mass2837.89
IUPAC Name9-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile;9-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[5,5-dimethyl-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c(c4)-c4cc(-n6c7ccc(C#N)cc7c7cc(C#N)ccc76)ccc4[Si]5(C)C)c3cc21.C[Si]1(C)c2ccc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)cc2-c2cc(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)ccc21.C[Si]1(C)c2ccc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)cc2-c2cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)ccc21.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(c1)-c1cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)ccc1[Si]2(C)C
InChIInChI=1S/C52H33N5Si.C49H34N4Si.C46H28N4OSi.C46H28N4SSi/c1-58(2)51-22-18-35(56-47-20-16-32(30-53)24-39(47)40-25-33(31-54)17-21-48(40)56)26-43(51)44-27-36(19-23-52(44)58)57-46-15-9-7-13-38(46)42-28-41-37-12-6-8-14-45(37)55(49(41)29-50(42)57)34-10-4-3-5-11-34;1-49(2)41-11-7-5-9-33(41)35-25-38-34-10-6-8-12-43(34)53(46(38)26-42(35)49)32-16-20-48-40(24-32)39-23-31(15-19-47(39)54(48,3)4)52-44-17-13-29(27-50)21-36(44)37-22-30(28-51)14-18-45(37)52;1-48-28-13-18-40-35(23-28)34-22-27(26-47)12-17-39(34)49(40)29-14-20-43-36(24-29)37-25-30(15-21-44(37)52(43,2)3)50-38-10-6-4-9-33(38)45-41(50)19-16-32-31-8-5-7-11-42(31)51-46(32)45;1-52(2)43-19-13-29(49-39-16-11-27(25-47)21-34(39)35-22-28(26-48)12-17-40(35)49)23-36(43)37-24-30(14-20-44(37)52)50-38-9-5-3-8-33(38)45-41(50)18-15-32-31-7-4-6-10-42(31)51-46(32)45/h3-29H,1-2H3;5-26H,1-4H3;4-25H,2-3H3;3-24H,1-2H3
InChIKeyZZGWQSZOQIXRAS-UHFFFAOYSA-N
XLogP44.06
TPSA228.40 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms216
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002840.64
LogP ≤ 544.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 9-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile;9-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[5,5-dimethyl-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile;9-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[5,5-dimethyl-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile;9-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[5,5-dimethyl-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile (CID 162261222) is 9-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile;9-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[5,5-dimethyl-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile;9-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[5,5-dimethyl-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile;9-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[5,5-dimethyl-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c(c4)-c4cc(-n6c7ccc(C#N)cc7c7cc(C#N)ccc76)ccc4[Si]5(C)C)c3cc21.C[Si]1(C)c2ccc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)cc2-c2cc(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)ccc21.C[Si]1(C)c2ccc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)cc2-c2cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)ccc21.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(c1)-c1cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)ccc1[Si]2(C)C.
What is the InChIKey of 9-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile;9-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[5,5-dimethyl-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile?
The InChIKey is ZZGWQSZOQIXRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N5Si.C49H34N4Si.C46H28N4OSi.C46H28N4SSi/c1-58(2)51-22-18-35(56-47-20-16-32(30-53)24-39(47)40-25-33(31-54)17-21-48(40)56)26-43(51)44-27-36(19-23-52(44)58)57-46-15-9-7-13-38(46)42-28-41-37-12-6-8-14-45(37)55(49(41)29-50(42)57)34-10-4-3-5-11-34;1-49(2)41-11-7-5-9-33(41)35-25-38-34-10-6-8-12-43(34)53(46(38)26-42(35)49)32-16-20-48-40(24-32)39-23-31(15-19-47(39)54(48,3)4)52-44-17-13-29(27-50)21-36(44)37-22-30(28-51)14-18-45(37)52;1-48-28-13-18-40-35(23-28)34-22-27(26-47)12-17-39(34)49(40)29-14-20-43-36(24-29)37-25-30(15-21-44(37)52(43,2)3)50-38-10-6-4-9-33(38)45-41(50)19-16-32-31-8-5-7-11-42(31)51-46(32)45;1-52(2)43-19-13-29(49-39-16-11-27(25-47)21-34(39)35-22-28(26-48)12-17-40(35)49)23-36(43)37-24-30(14-20-44(37)52)50-38-9-5-3-8-33(38)45-41(50)18-15-32-31-7-4-6-10-42(31)51-46(32)45/h3-29H,1-2H3;5-26H,1-4H3;4-25H,2-3H3;3-24H,1-2H3.
What are the key properties of 9-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile;9-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[5,5-dimethyl-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile?
9-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile;9-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[5,5-dimethyl-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile has a molecular weight of 2840.64 g/mol, XLogP of 44.06, 9 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile;9-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[5,5-dimethyl-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 162261222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).