2-(8-carbazol-9-yl-5,12-dihydrotetracen-2-yl)-10,10-diphenylbenzo[b][1,4]benzothiasiline 5,5-dioxide;9-[3,5-dimethyl-4-[8-(5-quinoxalin-5-ylthiophen-2-yl)-6,11-dihydrotetracen-2-yl]phenyl]carbazole;9-[8-(1,2-diphenylbenzimidazol-5-yl)-5,12-dihydrotetracen-2-yl]carbazole;3-(2-ethylthieno[3,2-b]thiophen-5-yl)-5-[8-(N-phenylanilino)-6,11-dihydrotetracen-2-yl]benzonitrile

C198H137N9O2S4Si — CID 159756387

About 2-(8-carbazol-9-yl-5,12-dihydrotetracen-2-yl)-10,10-diphenylbenzo[b][1,4]benzothiasiline 5,5-dioxide;9-[3,5-dimethyl-4-[8-(5-quinoxalin-5-ylthiophen-2-yl)-6,11-dihydrotetracen-2-yl]phenyl]carbazole;9-[8-(1,2-diphenylbenzimidazol-5-yl)-5,12-dihydrotetracen-2-yl]carbazole;3-(2-ethylthieno[3,2-b]thiophen-5-yl)-5-[8-(N-phenylanilino)-6,11-dihydrotetracen-2-yl]benzonitrile

2-(8-carbazol-9-yl-5,12-dihydrotetracen-2-yl)-10,10-diphenylbenzo[b][1,4]benzothiasiline 5,5-dioxide;9-[3,5-dimethyl-4-[8-(5-quinoxalin-5-ylthiophen-2-yl)-6,11-dihydrotetracen-2-yl]phenyl]carbazole;9-[8-(1,2-diphenylbenzimidazol-5-yl)-5,12-dihydrotetracen-2-yl]carbazole;3-(2-ethylthieno[3,2-b]thiophen-5-yl)-5-[8-(N-phenylanilino)-6,11-dihydrotetracen-2-yl]benzonitrile (PubChem CID 159756387) has the molecular formula C198H137N9O2S4Si and a molecular weight of 2830.69 g/mol. Its IUPAC name is 2-(8-carbazol-9-yl-5,12-dihydrotetracen-2-yl)-10,10-diphenylbenzo[b][1,4]benzothiasiline 5,5-dioxide;9-[3,5-dimethyl-4-[8-(5-quinoxalin-5-ylthiophen-2-yl)-6,11-dihydrotetracen-2-yl]phenyl]carbazole;9-[8-(1,2-diphenylbenzimidazol-5-yl)-5,12-dihydrotetracen-2-yl]carbazole;3-(2-ethylthieno[3,2-b]thiophen-5-yl)-5-[8-(N-phenylanilino)-6,11-dihydrotetracen-2-yl]benzonitrile.

Molecular Properties

• Compound Name: 2-(8-carbazol-9-yl-5,12-dihydrotetracen-2-yl)-10,10-diphenylbenzo[b][1,4]benzothiasiline 5,5-dioxide;9-[3,5-dimethyl-4-[8-(5-quinoxalin-5-ylthiophen-2-yl)-6,11-dihydrotetracen-2-yl]phenyl]carbazole;9-[8-(1,2-diphenylbenzimidazol-5-yl)-5,12-dihydrotetracen-2-yl]carbazole;3-(2-ethylthieno[3,2-b]thiophen-5-yl)-5-[8-(N-phenylanilino)-6,11-dihydrotetracen-2-yl]benzonitrile
• PubChem CID: 159756387
• Molecular Formula: C198H137N9O2S4Si
• Molecular Weight: 2830.69 g/mol
• Exact Mass: 2827.95
• IUPAC Name: 2-(8-carbazol-9-yl-5,12-dihydrotetracen-2-yl)-10,10-diphenylbenzo[b][1,4]benzothiasiline 5,5-dioxide;9-[3,5-dimethyl-4-[8-(5-quinoxalin-5-ylthiophen-2-yl)-6,11-dihydrotetracen-2-yl]phenyl]carbazole;9-[8-(1,2-diphenylbenzimidazol-5-yl)-5,12-dihydrotetracen-2-yl]carbazole;3-(2-ethylthieno[3,2-b]thiophen-5-yl)-5-[8-(N-phenylanilino)-6,11-dihydrotetracen-2-yl]benzonitrile
• SMILES: CCc1cc2sc(-c3cc(C#N)cc(-c4ccc5cc6c(cc5c4)Cc4ccc(N(c5ccccc5)c5ccccc5)cc4C6)c3)cc2s1.Cc1cc(-n2c3ccccc3c3ccccc32)cc(C)c1-c1ccc2cc3c(cc2c1)Cc1ccc(-c2ccc(-c4cccc5nccnc45)s2)cc1C3.O=S1(=O)c2ccccc2[Si](c2ccccc2)(c2ccccc2)c2cc(-c3ccc4c(c3)Cc3cc5ccc(-n6c7ccccc7c7ccccc76)cc5cc3C4)ccc21.c1ccc(-c2nc3cc(-c4ccc5cc6c(cc5c4)Cc4ccc(-n5c7ccccc7c7ccccc75)cc4C6)ccc3n2-c2ccccc2)cc1
• InChI: InChI=1S/C54H37NO2SSi.C50H35N3S.C49H33N3.C45H32N2S2/c56-58(57)51-21-11-12-22-53(51)59(45-13-3-1-4-14-45,46-15-5-2-6-16-46)54-35-39(26-28-52(54)58)36-23-24-37-30-42-33-43-34-44(27-25-38(43)31-41(42)32-40(37)29-36)55-49-19-9-7-17-47(49)48-18-8-10-20-50(48)55;1-30-22-40(53-45-12-5-3-8-41(45)42-9-4-6-13-46(42)53)23-31(2)49(30)35-17-15-33-25-38-28-36-26-34(16-14-32(36)24-39(38)29-37(33)27-35)47-18-19-48(54-47)43-10-7-11-44-50(43)52-21-20-51-44;1-3-11-32(12-4-1)49-50-45-31-36(22-24-48(45)52(49)41-13-5-2-6-14-41)33-19-20-34-26-39-29-40-30-42(23-21-35(40)27-38(39)28-37(34)25-33)51-46-17-9-7-15-43(46)44-16-8-10-18-47(44)51;1-2-42-26-44-45(48-42)27-43(49-44)38-18-29(28-46)17-33(24-38)30-13-14-31-20-36-23-37-25-41(16-15-32(37)21-35(36)22-34(31)19-30)47(39-9-5-3-6-10-39)40-11-7-4-8-12-40/h1-29,31,33-35H,30,32H2;3-23,25-27,29H,24,28H2,1-2H3;1-26,28,30-31H,27,29H2;3-20,22,24-27H,2,21,23H2,1H3
• InChIKey: NEHWBKZFTSTEOC-UHFFFAOYSA-N
• XLogP: 47.63
• TPSA: 119.56 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2830.69
LogP ≤ 5	47.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(8-carbazol-9-yl-5,12-dihydrotetracen-2-yl)-10,10-diphenylbenzo[b][1,4]benzothiasiline 5,5-dioxide;9-[3,5-dimethyl-4-[8-(5-quinoxalin-5-ylthiophen-2-yl)-6,11-dihydrotetracen-2-yl]phenyl]carbazole;9-[8-(1,2-diphenylbenzimidazol-5-yl)-5,12-dihydrotetracen-2-yl]carbazole;3-(2-ethylthieno[3,2-b]thiophen-5-yl)-5-[8-(N-phenylanilino)-6,11-dihydrotetracen-2-yl]benzonitrile?

The IUPAC name of 2-(8-carbazol-9-yl-5,12-dihydrotetracen-2-yl)-10,10-diphenylbenzo[b][1,4]benzothiasiline 5,5-dioxide;9-[3,5-dimethyl-4-[8-(5-quinoxalin-5-ylthiophen-2-yl)-6,11-dihydrotetracen-2-yl]phenyl]carbazole;9-[8-(1,2-diphenylbenzimidazol-5-yl)-5,12-dihydrotetracen-2-yl]carbazole;3-(2-ethylthieno[3,2-b]thiophen-5-yl)-5-[8-(N-phenylanilino)-6,11-dihydrotetracen-2-yl]benzonitrile (CID 159756387) is 2-(8-carbazol-9-yl-5,12-dihydrotetracen-2-yl)-10,10-diphenylbenzo[b][1,4]benzothiasiline 5,5-dioxide;9-[3,5-dimethyl-4-[8-(5-quinoxalin-5-ylthiophen-2-yl)-6,11-dihydrotetracen-2-yl]phenyl]carbazole;9-[8-(1,2-diphenylbenzimidazol-5-yl)-5,12-dihydrotetracen-2-yl]carbazole;3-(2-ethylthieno[3,2-b]thiophen-5-yl)-5-[8-(N-phenylanilino)-6,11-dihydrotetracen-2-yl]benzonitrile.

What is the SMILES notation for 2-(8-carbazol-9-yl-5,12-dihydrotetracen-2-yl)-10,10-diphenylbenzo[b][1,4]benzothiasiline 5,5-dioxide;9-[3,5-dimethyl-4-[8-(5-quinoxalin-5-ylthiophen-2-yl)-6,11-dihydrotetracen-2-yl]phenyl]carbazole;9-[8-(1,2-diphenylbenzimidazol-5-yl)-5,12-dihydrotetracen-2-yl]carbazole;3-(2-ethylthieno[3,2-b]thiophen-5-yl)-5-[8-(N-phenylanilino)-6,11-dihydrotetracen-2-yl]benzonitrile?

The canonical SMILES for 2-(8-carbazol-9-yl-5,12-dihydrotetracen-2-yl)-10,10-diphenylbenzo[b][1,4]benzothiasiline 5,5-dioxide;9-[3,5-dimethyl-4-[8-(5-quinoxalin-5-ylthiophen-2-yl)-6,11-dihydrotetracen-2-yl]phenyl]carbazole;9-[8-(1,2-diphenylbenzimidazol-5-yl)-5,12-dihydrotetracen-2-yl]carbazole;3-(2-ethylthieno[3,2-b]thiophen-5-yl)-5-[8-(N-phenylanilino)-6,11-dihydrotetracen-2-yl]benzonitrile is CCc1cc2sc(-c3cc(C#N)cc(-c4ccc5cc6c(cc5c4)Cc4ccc(N(c5ccccc5)c5ccccc5)cc4C6)c3)cc2s1.Cc1cc(-n2c3ccccc3c3ccccc32)cc(C)c1-c1ccc2cc3c(cc2c1)Cc1ccc(-c2ccc(-c4cccc5nccnc45)s2)cc1C3.O=S1(=O)c2ccccc2[Si](c2ccccc2)(c2ccccc2)c2cc(-c3ccc4c(c3)Cc3cc5ccc(-n6c7ccccc7c7ccccc76)cc5cc3C4)ccc21.c1ccc(-c2nc3cc(-c4ccc5cc6c(cc5c4)Cc4ccc(-n5c7ccccc7c7ccccc75)cc4C6)ccc3n2-c2ccccc2)cc1.

What is the InChIKey of 2-(8-carbazol-9-yl-5,12-dihydrotetracen-2-yl)-10,10-diphenylbenzo[b][1,4]benzothiasiline 5,5-dioxide;9-[3,5-dimethyl-4-[8-(5-quinoxalin-5-ylthiophen-2-yl)-6,11-dihydrotetracen-2-yl]phenyl]carbazole;9-[8-(1,2-diphenylbenzimidazol-5-yl)-5,12-dihydrotetracen-2-yl]carbazole;3-(2-ethylthieno[3,2-b]thiophen-5-yl)-5-[8-(N-phenylanilino)-6,11-dihydrotetracen-2-yl]benzonitrile?

The InChIKey is NEHWBKZFTSTEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NO2SSi.C50H35N3S.C49H33N3.C45H32N2S2/c56-58(57)51-21-11-12-22-53(51)59(45-13-3-1-4-14-45,46-15-5-2-6-16-46)54-35-39(26-28-52(54)58)36-23-24-37-30-42-33-43-34-44(27-25-38(43)31-41(42)32-40(37)29-36)55-49-19-9-7-17-47(49)48-18-8-10-20-50(48)55;1-30-22-40(53-45-12-5-3-8-41(45)42-9-4-6-13-46(42)53)23-31(2)49(30)35-17-15-33-25-38-28-36-26-34(16-14-32(36)24-39(38)29-37(33)27-35)47-18-19-48(54-47)43-10-7-11-44-50(43)52-21-20-51-44;1-3-11-32(12-4-1)49-50-45-31-36(22-24-48(45)52(49)41-13-5-2-6-14-41)33-19-20-34-26-39-29-40-30-42(23-21-35(40)27-38(39)28-37(34)25-33)51-46-17-9-7-15-43(46)44-16-8-10-18-47(44)51;1-2-42-26-44-45(48-42)27-43(49-44)38-18-29(28-46)17-33(24-38)30-13-14-31-20-36-23-37-25-41(16-15-32(37)21-35(36)22-34(31)19-30)47(39-9-5-3-6-10-39)40-11-7-4-8-12-40/h1-29,31,33-35H,30,32H2;3-23,25-27,29H,24,28H2,1-2H3;1-26,28,30-31H,27,29H2;3-20,22,24-27H,2,21,23H2,1H3.

What are the key properties of 2-(8-carbazol-9-yl-5,12-dihydrotetracen-2-yl)-10,10-diphenylbenzo[b][1,4]benzothiasiline 5,5-dioxide;9-[3,5-dimethyl-4-[8-(5-quinoxalin-5-ylthiophen-2-yl)-6,11-dihydrotetracen-2-yl]phenyl]carbazole;9-[8-(1,2-diphenylbenzimidazol-5-yl)-5,12-dihydrotetracen-2-yl]carbazole;3-(2-ethylthieno[3,2-b]thiophen-5-yl)-5-[8-(N-phenylanilino)-6,11-dihydrotetracen-2-yl]benzonitrile?

2-(8-carbazol-9-yl-5,12-dihydrotetracen-2-yl)-10,10-diphenylbenzo[b][1,4]benzothiasiline 5,5-dioxide;9-[3,5-dimethyl-4-[8-(5-quinoxalin-5-ylthiophen-2-yl)-6,11-dihydrotetracen-2-yl]phenyl]carbazole;9-[8-(1,2-diphenylbenzimidazol-5-yl)-5,12-dihydrotetracen-2-yl]carbazole;3-(2-ethylthieno[3,2-b]thiophen-5-yl)-5-[8-(N-phenylanilino)-6,11-dihydrotetracen-2-yl]benzonitrile has a molecular weight of 2830.69 g/mol, XLogP of 47.63, 18 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-carbazol-9-yl-5,12-dihydrotetracen-2-yl)-10,10-diphenylbenzo[b][1,4]benzothiasiline 5,5-dioxide;9-[3,5-dimethyl-4-[8-(5-quinoxalin-5-ylthiophen-2-yl)-6,11-dihydrotetracen-2-yl]phenyl]carbazole;9-[8-(1,2-diphenylbenzimidazol-5-yl)-5,12-dihydrotetracen-2-yl]carbazole;3-(2-ethylthieno[3,2-b]thiophen-5-yl)-5-[8-(N-phenylanilino)-6,11-dihydrotetracen-2-yl]benzonitrile is sourced from PubChem (CID 159756387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).