3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole

C153H100N6OS — CID 159392904

About 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole

3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole (PubChem CID 159392904) has the molecular formula C153H100N6OS and a molecular weight of 2070.59 g/mol. Its IUPAC name is 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole.

Molecular Properties

• Compound Name: 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole
• PubChem CID: 159392904
• Molecular Formula: C153H100N6OS
• Molecular Weight: 2070.59 g/mol
• Exact Mass: 2068.77
• IUPAC Name: 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole
• SMILES: CC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc43)ccc21.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6oc7ccccc7c6c5)ccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6sc7ccccc7c6c5)ccc43)c2)cc1
• InChI: InChI=1S/C57H40N2.C48H30N2O.C48H30N2S/c1-57(2)51-22-12-9-19-45(51)48-36-43(27-28-52(48)57)58-53-23-13-10-20-46(53)49-34-39(25-29-55(49)58)40-26-30-56-50(35-40)47-21-11-14-24-54(47)59(56)44-32-41(37-15-5-3-6-16-37)31-42(33-44)38-17-7-4-8-18-38;2*1-2-11-31(12-3-1)32-13-10-14-35(27-32)49-43-18-7-4-15-37(43)40-28-33(21-24-45(40)49)34-22-25-46-41(29-34)38-16-5-8-19-44(38)50(46)36-23-26-48-42(30-36)39-17-6-9-20-47(39)51-48/h3-36H,1-2H3;2*1-30H
• InChIKey: LMIRZSVCNJVWAB-UHFFFAOYSA-N
• XLogP: 41.88
• TPSA: 42.72 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2070.59
LogP ≤ 5	41.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole?

The IUPAC name of 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole (CID 159392904) is 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole.

What is the SMILES notation for 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole?

The canonical SMILES for 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole is CC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc43)ccc21.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6oc7ccccc7c6c5)ccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6sc7ccccc7c6c5)ccc43)c2)cc1.

What is the InChIKey of 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole?

The InChIKey is LMIRZSVCNJVWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2.C48H30N2O.C48H30N2S/c1-57(2)51-22-12-9-19-45(51)48-36-43(27-28-52(48)57)58-53-23-13-10-20-46(53)49-34-39(25-29-55(49)58)40-26-30-56-50(35-40)47-21-11-14-24-54(47)59(56)44-32-41(37-15-5-3-6-16-37)31-42(33-44)38-17-7-4-8-18-38;2*1-2-11-31(12-3-1)32-13-10-14-35(27-32)49-43-18-7-4-15-37(43)40-28-33(21-24-45(40)49)34-22-25-46-41(29-34)38-16-5-8-19-44(38)50(46)36-23-26-48-42(30-36)39-17-6-9-20-47(39)51-48/h3-36H,1-2H3;2*1-30H.

What are the key properties of 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole?

3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole has a molecular weight of 2070.59 g/mol, XLogP of 41.88, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole is sourced from PubChem (CID 159392904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).