3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;6-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole

C126H84N4S2 — CID 160932250

About 3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;6-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole

3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;6-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole (PubChem CID 160932250) has the molecular formula C126H84N4S2 and a molecular weight of 1718.22 g/mol. Its IUPAC name is 3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;6-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole.

Molecular Properties

• Compound Name: 3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;6-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole
• PubChem CID: 160932250
• Molecular Formula: C126H84N4S2
• Molecular Weight: 1718.22 g/mol
• Exact Mass: 1716.61
• IUPAC Name: 3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;6-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole
• SMILES: CC1(C)c2ccccc2-c2c1ccc1c2sc2c(-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccccc4)cc3)cccc21.CC1(C)c2ccccc2-c2c1ccc1c2sc2c(-c3ccc(-c4ccc5c(c4)c4ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc4n5-c4ccccc4)cc3)cccc21
• InChI: InChI=1S/2C63H42N2S/c1-63(2)54-22-11-9-19-50(54)60-55(63)32-31-49-48-21-13-20-46(61(48)66-62(49)60)40-26-24-39(25-27-40)41-28-33-58-52(36-41)53-38-43(30-35-59(53)65(58)45-16-7-4-8-17-45)42-29-34-57-51(37-42)47-18-10-12-23-56(47)64(57)44-14-5-3-6-15-44;1-63(2)54-22-11-9-19-52(54)60-55(63)34-33-51-50-21-13-20-46(61(50)66-62(51)60)40-26-24-39(25-27-40)41-30-35-57-53(36-41)49-32-29-43(38-59(49)65(57)45-16-7-4-8-17-45)42-28-31-48-47-18-10-12-23-56(47)64(58(48)37-42)44-14-5-3-6-15-44/h2*3-38H,1-2H3
• InChIKey: STKMQPSCAOHPCC-UHFFFAOYSA-N
• XLogP: 35.11
• TPSA: 19.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1718.22
LogP ≤ 5	35.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;6-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole?

The IUPAC name of 3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;6-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole (CID 160932250) is 3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;6-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole.

What is the SMILES notation for 3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;6-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole?

The canonical SMILES for 3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;6-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole is CC1(C)c2ccccc2-c2c1ccc1c2sc2c(-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccccc4)cc3)cccc21.CC1(C)c2ccccc2-c2c1ccc1c2sc2c(-c3ccc(-c4ccc5c(c4)c4ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc4n5-c4ccccc4)cc3)cccc21.

What is the InChIKey of 3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;6-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole?

The InChIKey is STKMQPSCAOHPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C63H42N2S/c1-63(2)54-22-11-9-19-50(54)60-55(63)32-31-49-48-21-13-20-46(61(48)66-62(49)60)40-26-24-39(25-27-40)41-28-33-58-52(36-41)53-38-43(30-35-59(53)65(58)45-16-7-4-8-17-45)42-29-34-57-51(37-42)47-18-10-12-23-56(47)64(57)44-14-5-3-6-15-44;1-63(2)54-22-11-9-19-52(54)60-55(63)34-33-51-50-21-13-20-46(61(50)66-62(51)60)40-26-24-39(25-27-40)41-30-35-57-53(36-41)49-32-29-43(38-59(49)65(57)45-16-7-4-8-17-45)42-28-31-48-47-18-10-12-23-56(47)64(58(48)37-42)44-14-5-3-6-15-44/h2*3-38H,1-2H3.

What are the key properties of 3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;6-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole?

3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;6-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole has a molecular weight of 1718.22 g/mol, XLogP of 35.11, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;6-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole is sourced from PubChem (CID 160932250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).