3-dibenzothiophen-4-yl-6-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole

C145H96N6S — CID 159869296

About 3-dibenzothiophen-4-yl-6-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole

3-dibenzothiophen-4-yl-6-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole (PubChem CID 159869296) has the molecular formula C145H96N6S and a molecular weight of 1954.47 g/mol. Its IUPAC name is 3-dibenzothiophen-4-yl-6-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole.

Molecular Properties

• Compound Name: 3-dibenzothiophen-4-yl-6-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
• PubChem CID: 159869296
• Molecular Formula: C145H96N6S
• Molecular Weight: 1954.47 g/mol
• Exact Mass: 1952.74
• IUPAC Name: 3-dibenzothiophen-4-yl-6-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
• SMILES: Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6cccc7c6sc6ccccc67)ccc4n5-c4ccccc4)ccc32)cc1.c1ccc(-c2cccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4ccc(-c5ccccc5)cc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)cc1
• InChI: InChI=1S/C49H32N2S.2C48H32N2/c1-31-18-23-36(24-19-31)51-44-16-7-5-12-38(44)41-28-32(20-25-45(41)51)33-21-26-46-42(29-33)43-30-34(22-27-47(43)50(46)35-10-3-2-4-11-35)37-14-9-15-40-39-13-6-8-17-48(39)52-49(37)40;1-4-13-33(14-5-1)35-17-12-20-40(29-35)50-47-28-25-37(31-44(47)42-26-23-38(32-48(42)50)34-15-6-2-7-16-34)36-24-27-46-43(30-36)41-21-10-11-22-45(41)49(46)39-18-8-3-9-19-39;1-4-13-33(14-5-1)35-17-12-20-40(29-35)50-47-26-23-36(34-15-6-2-7-16-34)30-43(47)44-32-38(25-28-48(44)50)37-24-27-46-42(31-37)41-21-10-11-22-45(41)49(46)39-18-8-3-9-19-39/h2-30H,1H3;2*1-32H
• InChIKey: NSDAXYVUDJQCAK-UHFFFAOYSA-N
• XLogP: 39.65
• TPSA: 29.58 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1954.47
LogP ≤ 5	39.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-4-yl-6-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole?

The IUPAC name of 3-dibenzothiophen-4-yl-6-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole (CID 159869296) is 3-dibenzothiophen-4-yl-6-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole.

What is the SMILES notation for 3-dibenzothiophen-4-yl-6-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole?

The canonical SMILES for 3-dibenzothiophen-4-yl-6-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole is Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6cccc7c6sc6ccccc67)ccc4n5-c4ccccc4)ccc32)cc1.c1ccc(-c2cccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4ccc(-c5ccccc5)cc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)cc1.

What is the InChIKey of 3-dibenzothiophen-4-yl-6-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole?

The InChIKey is NSDAXYVUDJQCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2S.2C48H32N2/c1-31-18-23-36(24-19-31)51-44-16-7-5-12-38(44)41-28-32(20-25-45(41)51)33-21-26-46-42(29-33)43-30-34(22-27-47(43)50(46)35-10-3-2-4-11-35)37-14-9-15-40-39-13-6-8-17-48(39)52-49(37)40;1-4-13-33(14-5-1)35-17-12-20-40(29-35)50-47-28-25-37(31-44(47)42-26-23-38(32-48(42)50)34-15-6-2-7-16-34)36-24-27-46-43(30-36)41-21-10-11-22-45(41)49(46)39-18-8-3-9-19-39;1-4-13-33(14-5-1)35-17-12-20-40(29-35)50-47-26-23-36(34-15-6-2-7-16-34)30-43(47)44-32-38(25-28-48(44)50)37-24-27-46-42(31-37)41-21-10-11-22-45(41)49(46)39-18-8-3-9-19-39/h2-30H,1H3;2*1-32H.

What are the key properties of 3-dibenzothiophen-4-yl-6-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole?

3-dibenzothiophen-4-yl-6-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole has a molecular weight of 1954.47 g/mol, XLogP of 39.65, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-dibenzothiophen-4-yl-6-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 159869296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).