9-dibenzofuran-2-yl-3-dibenzothiophen-2-ylcarbazole;3-dibenzofuran-2-yl-9-(3-phenylphenyl)carbazole;3,9-di(dibenzothiophen-2-yl)carbazole

C108H65N3O2S3 — CID 158258330

About 9-dibenzofuran-2-yl-3-dibenzothiophen-2-ylcarbazole;3-dibenzofuran-2-yl-9-(3-phenylphenyl)carbazole;3,9-di(dibenzothiophen-2-yl)carbazole

9-dibenzofuran-2-yl-3-dibenzothiophen-2-ylcarbazole;3-dibenzofuran-2-yl-9-(3-phenylphenyl)carbazole;3,9-di(dibenzothiophen-2-yl)carbazole (PubChem CID 158258330) has the molecular formula C108H65N3O2S3 and a molecular weight of 1532.93 g/mol. Its IUPAC name is 9-dibenzofuran-2-yl-3-dibenzothiophen-2-ylcarbazole;3-dibenzofuran-2-yl-9-(3-phenylphenyl)carbazole;3,9-di(dibenzothiophen-2-yl)carbazole.

Molecular Properties

• Compound Name: 9-dibenzofuran-2-yl-3-dibenzothiophen-2-ylcarbazole;3-dibenzofuran-2-yl-9-(3-phenylphenyl)carbazole;3,9-di(dibenzothiophen-2-yl)carbazole
• PubChem CID: 158258330
• Molecular Formula: C108H65N3O2S3
• Molecular Weight: 1532.93 g/mol
• Exact Mass: 1531.42
• IUPAC Name: 9-dibenzofuran-2-yl-3-dibenzothiophen-2-ylcarbazole;3-dibenzofuran-2-yl-9-(3-phenylphenyl)carbazole;3,9-di(dibenzothiophen-2-yl)carbazole
• SMILES: c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6oc7ccccc7c6c5)ccc43)c2)cc1.c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4cc(-c5ccc6sc7ccccc7c6c5)ccc43)cc12.c1ccc2c(c1)sc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4sc5ccccc5c4c3)cc12
• InChI: InChI=1S/C36H21NOS.C36H23NO.C36H21NS2/c1-4-10-31-25(7-1)28-19-22(23-14-18-36-30(20-23)27-9-3-6-12-35(27)39-36)13-16-32(28)37(31)24-15-17-34-29(21-24)26-8-2-5-11-33(26)38-34;1-2-9-24(10-3-1)25-11-8-12-28(21-25)37-33-15-6-4-13-29(33)31-22-26(17-19-34(31)37)27-18-20-36-32(23-27)30-14-5-7-16-35(30)38-36;1-4-10-31-25(7-1)28-19-22(23-14-17-35-29(20-23)26-8-2-5-11-33(26)38-35)13-16-32(28)37(31)24-15-18-36-30(21-24)27-9-3-6-12-34(27)39-36/h1-21H;1-23H;1-21H
• InChIKey: GHOFEZBGHXCIOQ-UHFFFAOYSA-N
• XLogP: 31.92
• TPSA: 41.07 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1532.93
LogP ≤ 5	31.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-2-yl-3-dibenzothiophen-2-ylcarbazole;3-dibenzofuran-2-yl-9-(3-phenylphenyl)carbazole;3,9-di(dibenzothiophen-2-yl)carbazole?

The IUPAC name of 9-dibenzofuran-2-yl-3-dibenzothiophen-2-ylcarbazole;3-dibenzofuran-2-yl-9-(3-phenylphenyl)carbazole;3,9-di(dibenzothiophen-2-yl)carbazole (CID 158258330) is 9-dibenzofuran-2-yl-3-dibenzothiophen-2-ylcarbazole;3-dibenzofuran-2-yl-9-(3-phenylphenyl)carbazole;3,9-di(dibenzothiophen-2-yl)carbazole.

What is the SMILES notation for 9-dibenzofuran-2-yl-3-dibenzothiophen-2-ylcarbazole;3-dibenzofuran-2-yl-9-(3-phenylphenyl)carbazole;3,9-di(dibenzothiophen-2-yl)carbazole?

The canonical SMILES for 9-dibenzofuran-2-yl-3-dibenzothiophen-2-ylcarbazole;3-dibenzofuran-2-yl-9-(3-phenylphenyl)carbazole;3,9-di(dibenzothiophen-2-yl)carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6oc7ccccc7c6c5)ccc43)c2)cc1.c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4cc(-c5ccc6sc7ccccc7c6c5)ccc43)cc12.c1ccc2c(c1)sc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4sc5ccccc5c4c3)cc12.

What is the InChIKey of 9-dibenzofuran-2-yl-3-dibenzothiophen-2-ylcarbazole;3-dibenzofuran-2-yl-9-(3-phenylphenyl)carbazole;3,9-di(dibenzothiophen-2-yl)carbazole?

The InChIKey is GHOFEZBGHXCIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21NOS.C36H23NO.C36H21NS2/c1-4-10-31-25(7-1)28-19-22(23-14-18-36-30(20-23)27-9-3-6-12-35(27)39-36)13-16-32(28)37(31)24-15-17-34-29(21-24)26-8-2-5-11-33(26)38-34;1-2-9-24(10-3-1)25-11-8-12-28(21-25)37-33-15-6-4-13-29(33)31-22-26(17-19-34(31)37)27-18-20-36-32(23-27)30-14-5-7-16-35(30)38-36;1-4-10-31-25(7-1)28-19-22(23-14-17-35-29(20-23)26-8-2-5-11-33(26)38-35)13-16-32(28)37(31)24-15-18-36-30(21-24)27-9-3-6-12-34(27)39-36/h1-21H;1-23H;1-21H.

What are the key properties of 9-dibenzofuran-2-yl-3-dibenzothiophen-2-ylcarbazole;3-dibenzofuran-2-yl-9-(3-phenylphenyl)carbazole;3,9-di(dibenzothiophen-2-yl)carbazole?

9-dibenzofuran-2-yl-3-dibenzothiophen-2-ylcarbazole;3-dibenzofuran-2-yl-9-(3-phenylphenyl)carbazole;3,9-di(dibenzothiophen-2-yl)carbazole has a molecular weight of 1532.93 g/mol, XLogP of 31.92, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-dibenzofuran-2-yl-3-dibenzothiophen-2-ylcarbazole;3-dibenzofuran-2-yl-9-(3-phenylphenyl)carbazole;3,9-di(dibenzothiophen-2-yl)carbazole is sourced from PubChem (CID 158258330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).