9-phenyl-2-(4-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-3-(1-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-3-(2-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-3-(3-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole

C196H124N4S8 — CID 158222915

About 9-phenyl-2-(4-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-3-(1-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-3-(2-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-3-(3-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole

9-phenyl-2-(4-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-3-(1-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-3-(2-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-3-(3-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole (PubChem CID 158222915) has the molecular formula C196H124N4S8 and a molecular weight of 2791.71 g/mol. Its IUPAC name is 9-phenyl-2-(4-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-3-(1-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-3-(2-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-3-(3-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole.

Molecular Properties

• Compound Name: 9-phenyl-2-(4-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-3-(1-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-3-(2-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-3-(3-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole
• PubChem CID: 158222915
• Molecular Formula: C196H124N4S8
• Molecular Weight: 2791.71 g/mol
• Exact Mass: 2788.76
• IUPAC Name: 9-phenyl-2-(4-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-3-(1-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-3-(2-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-3-(3-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole
• SMILES: c1ccc(-c2ccc3c(c2)C2(c4ccccc4S3)c3ccccc3Sc3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c32)cc1.c1ccc(-c2ccc3c(c2)Sc2ccccc2C32c3ccccc3Sc3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c32)cc1.c1ccc(-c2cccc3c2C2(c4ccccc4S3)c3ccccc3Sc3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c32)cc1.c1ccc(-c2cccc3c2Sc2ccccc2C32c3ccccc3Sc3c(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cccc32)cc1
• InChI: InChI=1S/4C49H31NS2/c1-3-15-32(16-4-1)35-20-13-24-41-47(35)51-45-27-11-8-22-39(45)49(41)40-23-9-12-28-46(40)52-48-36(21-14-25-42(48)49)33-29-30-38-37-19-7-10-26-43(37)50(44(38)31-33)34-17-5-2-6-18-34;1-3-15-32(16-4-1)35-20-13-27-45-47(35)49(39-22-8-11-25-43(39)51-45)40-23-9-12-26-44(40)52-46-28-14-21-36(48(46)49)33-29-30-42-38(31-33)37-19-7-10-24-41(37)50(42)34-17-5-2-6-18-34;1-3-14-32(15-4-1)33-27-29-46-41(31-33)49(39-20-8-11-23-44(39)51-46)40-21-9-12-24-45(40)52-47-25-13-19-36(48(47)49)34-26-28-43-38(30-34)37-18-7-10-22-42(37)50(43)35-16-5-2-6-17-35;1-3-14-32(15-4-1)33-26-28-41-47(31-33)52-45-24-12-9-21-40(45)49(41)39-20-8-11-23-44(39)51-46-25-13-19-36(48(46)49)34-27-29-43-38(30-34)37-18-7-10-22-42(37)50(43)35-16-5-2-6-17-35/h4*1-31H
• InChIKey: GDLOGAXDOLUYLH-UHFFFAOYSA-N
• XLogP: 53.72
• TPSA: 19.72 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2791.71
LogP ≤ 5	53.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-(4-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-3-(1-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-3-(2-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-3-(3-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole?

The IUPAC name of 9-phenyl-2-(4-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-3-(1-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-3-(2-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-3-(3-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole (CID 158222915) is 9-phenyl-2-(4-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-3-(1-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-3-(2-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-3-(3-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole.

What is the SMILES notation for 9-phenyl-2-(4-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-3-(1-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-3-(2-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-3-(3-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole?

The canonical SMILES for 9-phenyl-2-(4-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-3-(1-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-3-(2-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-3-(3-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole is c1ccc(-c2ccc3c(c2)C2(c4ccccc4S3)c3ccccc3Sc3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c32)cc1.c1ccc(-c2ccc3c(c2)Sc2ccccc2C32c3ccccc3Sc3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c32)cc1.c1ccc(-c2cccc3c2C2(c4ccccc4S3)c3ccccc3Sc3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c32)cc1.c1ccc(-c2cccc3c2Sc2ccccc2C32c3ccccc3Sc3c(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cccc32)cc1.

What is the InChIKey of 9-phenyl-2-(4-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-3-(1-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-3-(2-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-3-(3-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole?

The InChIKey is GDLOGAXDOLUYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C49H31NS2/c1-3-15-32(16-4-1)35-20-13-24-41-47(35)51-45-27-11-8-22-39(45)49(41)40-23-9-12-28-46(40)52-48-36(21-14-25-42(48)49)33-29-30-38-37-19-7-10-26-43(37)50(44(38)31-33)34-17-5-2-6-18-34;1-3-15-32(16-4-1)35-20-13-27-45-47(35)49(39-22-8-11-25-43(39)51-45)40-23-9-12-26-44(40)52-46-28-14-21-36(48(46)49)33-29-30-42-38(31-33)37-19-7-10-24-41(37)50(42)34-17-5-2-6-18-34;1-3-14-32(15-4-1)33-27-29-46-41(31-33)49(39-20-8-11-23-44(39)51-46)40-21-9-12-24-45(40)52-47-25-13-19-36(48(47)49)34-26-28-43-38(30-34)37-18-7-10-22-42(37)50(43)35-16-5-2-6-17-35;1-3-14-32(15-4-1)33-26-28-41-47(31-33)52-45-24-12-9-21-40(45)49(41)39-20-8-11-23-44(39)51-46-25-13-19-36(48(46)49)34-27-29-43-38(30-34)37-18-7-10-22-42(37)50(43)35-16-5-2-6-17-35/h4*1-31H.

What are the key properties of 9-phenyl-2-(4-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-3-(1-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-3-(2-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-3-(3-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole?

9-phenyl-2-(4-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-3-(1-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-3-(2-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-3-(3-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole has a molecular weight of 2791.71 g/mol, XLogP of 53.72, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-2-(4-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-3-(1-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-3-(2-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-3-(3-phenyl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole is sourced from PubChem (CID 158222915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).