3-dibenzofuran-1-yl-9-phenyl-6-[9-(1-phenylpyridin-1-ium-4-yl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole

C161H102N7OS2+ — CID 160985917

About 3-dibenzofuran-1-yl-9-phenyl-6-[9-(1-phenylpyridin-1-ium-4-yl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole

3-dibenzofuran-1-yl-9-phenyl-6-[9-(1-phenylpyridin-1-ium-4-yl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole (PubChem CID 160985917) has the molecular formula C161H102N7OS2+ and a molecular weight of 2214.77 g/mol. Its IUPAC name is 3-dibenzofuran-1-yl-9-phenyl-6-[9-(1-phenylpyridin-1-ium-4-yl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole.

Molecular Properties

• Compound Name: 3-dibenzofuran-1-yl-9-phenyl-6-[9-(1-phenylpyridin-1-ium-4-yl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
• PubChem CID: 160985917
• Molecular Formula: C161H102N7OS2+
• Molecular Weight: 2214.77 g/mol
• Exact Mass: 2212.76
• IUPAC Name: 3-dibenzofuran-1-yl-9-phenyl-6-[9-(1-phenylpyridin-1-ium-4-yl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
• SMILES: c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)sc7ccccc78)ccc5n6-c5ccccc5)ccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7cccc8c7sc7ccccc78)ccc5n6-c5ccccc5)ccc43)c2)cc1.c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc[n+](-c5ccccc5)cc4)cc3c3cc(-c4cccc5oc6ccccc6c45)ccc32)cc1
• InChI: InChI=1S/2C54H34N2S.C53H34N3O/c1-3-13-35(14-4-1)36-15-11-18-41(31-36)56-49-23-9-7-19-43(49)46-32-37(25-28-50(46)56)38-26-29-51-47(33-38)48-34-39(27-30-52(48)55(51)40-16-5-2-6-17-40)42-21-12-22-45-44-20-8-10-24-53(44)57-54(42)45;1-3-12-35(13-4-1)36-14-11-17-42(30-36)56-49-20-9-7-18-43(49)46-31-37(23-27-50(46)56)38-24-28-51-47(32-38)48-33-39(25-29-52(48)55(51)41-15-5-2-6-16-41)40-22-26-45-44-19-8-10-21-53(44)57-54(45)34-40;1-3-12-38(13-4-1)54-30-28-40(29-31-54)56-47-19-9-7-16-42(47)44-32-35(22-25-48(44)56)36-23-26-49-45(33-36)46-34-37(24-27-50(46)55(49)39-14-5-2-6-15-39)41-18-11-21-52-53(41)43-17-8-10-20-51(43)57-52/h3*1-34H/q;;+1
• InChIKey: CPUPSWBOOJTDJV-UHFFFAOYSA-N
• XLogP: 43.89
• TPSA: 46.60 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2214.77
LogP ≤ 5	43.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-1-yl-9-phenyl-6-[9-(1-phenylpyridin-1-ium-4-yl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole?

The IUPAC name of 3-dibenzofuran-1-yl-9-phenyl-6-[9-(1-phenylpyridin-1-ium-4-yl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole (CID 160985917) is 3-dibenzofuran-1-yl-9-phenyl-6-[9-(1-phenylpyridin-1-ium-4-yl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole.

What is the SMILES notation for 3-dibenzofuran-1-yl-9-phenyl-6-[9-(1-phenylpyridin-1-ium-4-yl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole?

The canonical SMILES for 3-dibenzofuran-1-yl-9-phenyl-6-[9-(1-phenylpyridin-1-ium-4-yl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)sc7ccccc78)ccc5n6-c5ccccc5)ccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7cccc8c7sc7ccccc78)ccc5n6-c5ccccc5)ccc43)c2)cc1.c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc[n+](-c5ccccc5)cc4)cc3c3cc(-c4cccc5oc6ccccc6c45)ccc32)cc1.

What is the InChIKey of 3-dibenzofuran-1-yl-9-phenyl-6-[9-(1-phenylpyridin-1-ium-4-yl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole?

The InChIKey is CPUPSWBOOJTDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H34N2S.C53H34N3O/c1-3-13-35(14-4-1)36-15-11-18-41(31-36)56-49-23-9-7-19-43(49)46-32-37(25-28-50(46)56)38-26-29-51-47(33-38)48-34-39(27-30-52(48)55(51)40-16-5-2-6-17-40)42-21-12-22-45-44-20-8-10-24-53(44)57-54(42)45;1-3-12-35(13-4-1)36-14-11-17-42(30-36)56-49-20-9-7-18-43(49)46-31-37(23-27-50(46)56)38-24-28-51-47(32-38)48-33-39(25-29-52(48)55(51)41-15-5-2-6-16-41)40-22-26-45-44-19-8-10-21-53(44)57-54(45)34-40;1-3-12-38(13-4-1)54-30-28-40(29-31-54)56-47-19-9-7-16-42(47)44-32-35(22-25-48(44)56)36-23-26-49-45(33-36)46-34-37(24-27-50(46)55(49)39-14-5-2-6-15-39)41-18-11-21-52-53(41)43-17-8-10-20-51(43)57-52/h3*1-34H/q;;+1.

What are the key properties of 3-dibenzofuran-1-yl-9-phenyl-6-[9-(1-phenylpyridin-1-ium-4-yl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole?

3-dibenzofuran-1-yl-9-phenyl-6-[9-(1-phenylpyridin-1-ium-4-yl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole has a molecular weight of 2214.77 g/mol, XLogP of 43.89, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-dibenzofuran-1-yl-9-phenyl-6-[9-(1-phenylpyridin-1-ium-4-yl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole is sourced from PubChem (CID 160985917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).