4-[9-(4-dibenzofuran-2-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole;4-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-4-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(9-phenyltriphenylen-1-yl)carbazole

C165H104N6OS2 — CID 160732319

About 4-[9-(4-dibenzofuran-2-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole;4-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-4-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(9-phenyltriphenylen-1-yl)carbazole

4-[9-(4-dibenzofuran-2-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole;4-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-4-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(9-phenyltriphenylen-1-yl)carbazole (PubChem CID 160732319) has the molecular formula C165H104N6OS2 and a molecular weight of 2250.82 g/mol. Its IUPAC name is 4-[9-(4-dibenzofuran-2-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole;4-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-4-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(9-phenyltriphenylen-1-yl)carbazole.

Molecular Properties

• Compound Name: 4-[9-(4-dibenzofuran-2-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole;4-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-4-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(9-phenyltriphenylen-1-yl)carbazole
• PubChem CID: 160732319
• Molecular Formula: C165H104N6OS2
• Molecular Weight: 2250.82 g/mol
• Exact Mass: 2248.77
• IUPAC Name: 4-[9-(4-dibenzofuran-2-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole;4-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-4-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(9-phenyltriphenylen-1-yl)carbazole
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3cc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)cc4c3sc3ccccc34)cc21.c1ccc(-c2cccc3c2c2ccccc2c2cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c23)cc1.c1ccc(-n2c3ccccc3c3c(-c4cccc5c4c4ccccc4n5-c4cc(-c5ccc6oc7ccccc7c6c5)c5sc6ccccc6c5c4)cccc32)cc1
• InChI: InChI=1S/C57H38N2S.C54H32N2OS.C54H34N2/c1-57(2)47-24-10-6-18-38(47)39-31-30-35(32-48(39)57)45-33-37(34-46-40-19-9-13-29-53(40)60-56(45)46)59-50-26-12-8-21-44(50)55-42(23-15-28-52(55)59)41-22-14-27-51-54(41)43-20-7-11-25-49(43)58(51)36-16-4-3-5-17-36;1-2-14-34(15-3-1)55-45-22-8-4-18-40(45)52-38(20-12-24-47(52)55)39-21-13-25-48-53(39)41-19-5-9-23-46(41)56(48)35-31-42(54-44(32-35)37-17-7-11-27-51(37)58-54)33-28-29-50-43(30-33)36-16-6-10-26-49(36)57-50;1-3-15-35(16-4-1)39-23-13-25-45-53(39)43-22-8-7-19-40(43)44-24-14-28-52(54(44)45)56-49-27-12-10-21-42(49)47-34-37(30-32-51(47)56)36-29-31-50-46(33-36)41-20-9-11-26-48(41)55(50)38-17-5-2-6-18-38/h3-34H,1-2H3;1-32H;1-34H
• InChIKey: RUMUXVRFFMJALS-UHFFFAOYSA-N
• XLogP: 46.05
• TPSA: 42.72 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2250.82
LogP ≤ 5	46.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-dibenzofuran-2-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole;4-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-4-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(9-phenyltriphenylen-1-yl)carbazole?

The IUPAC name of 4-[9-(4-dibenzofuran-2-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole;4-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-4-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(9-phenyltriphenylen-1-yl)carbazole (CID 160732319) is 4-[9-(4-dibenzofuran-2-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole;4-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-4-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(9-phenyltriphenylen-1-yl)carbazole.

What is the SMILES notation for 4-[9-(4-dibenzofuran-2-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole;4-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-4-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(9-phenyltriphenylen-1-yl)carbazole?

The canonical SMILES for 4-[9-(4-dibenzofuran-2-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole;4-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-4-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(9-phenyltriphenylen-1-yl)carbazole is CC1(C)c2ccccc2-c2ccc(-c3cc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)cc4c3sc3ccccc34)cc21.c1ccc(-c2cccc3c2c2ccccc2c2cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c23)cc1.c1ccc(-n2c3ccccc3c3c(-c4cccc5c4c4ccccc4n5-c4cc(-c5ccc6oc7ccccc7c6c5)c5sc6ccccc6c5c4)cccc32)cc1.

What is the InChIKey of 4-[9-(4-dibenzofuran-2-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole;4-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-4-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(9-phenyltriphenylen-1-yl)carbazole?

The InChIKey is RUMUXVRFFMJALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N2S.C54H32N2OS.C54H34N2/c1-57(2)47-24-10-6-18-38(47)39-31-30-35(32-48(39)57)45-33-37(34-46-40-19-9-13-29-53(40)60-56(45)46)59-50-26-12-8-21-44(50)55-42(23-15-28-52(55)59)41-22-14-27-51-54(41)43-20-7-11-25-49(43)58(51)36-16-4-3-5-17-36;1-2-14-34(15-3-1)55-45-22-8-4-18-40(45)52-38(20-12-24-47(52)55)39-21-13-25-48-53(39)41-19-5-9-23-46(41)56(48)35-31-42(54-44(32-35)37-17-7-11-27-51(37)58-54)33-28-29-50-43(30-33)36-16-6-10-26-49(36)57-50;1-3-15-35(16-4-1)39-23-13-25-45-53(39)43-22-8-7-19-40(43)44-24-14-28-52(54(44)45)56-49-27-12-10-21-42(49)47-34-37(30-32-51(47)56)36-29-31-50-46(33-36)41-20-9-11-26-48(41)55(50)38-17-5-2-6-18-38/h3-34H,1-2H3;1-32H;1-34H.

What are the key properties of 4-[9-(4-dibenzofuran-2-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole;4-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-4-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(9-phenyltriphenylen-1-yl)carbazole?

4-[9-(4-dibenzofuran-2-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole;4-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-4-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(9-phenyltriphenylen-1-yl)carbazole has a molecular weight of 2250.82 g/mol, XLogP of 46.05, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[9-(4-dibenzofuran-2-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole;4-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-4-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(9-phenyltriphenylen-1-yl)carbazole is sourced from PubChem (CID 160732319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).