9-(8-dibenzofuran-4-yldibenzothiophen-3-yl)-3-triphenylen-2-ylcarbazole

C54H31NOS — CID 170278507

About 9-(8-dibenzofuran-4-yldibenzothiophen-3-yl)-3-triphenylen-2-ylcarbazole

9-(8-dibenzofuran-4-yldibenzothiophen-3-yl)-3-triphenylen-2-ylcarbazole (PubChem CID 170278507) has the molecular formula C54H31NOS and a molecular weight of 741.92 g/mol. Its IUPAC name is 9-(8-dibenzofuran-4-yldibenzothiophen-3-yl)-3-triphenylen-2-ylcarbazole.

Molecular Properties

• Compound Name: 9-(8-dibenzofuran-4-yldibenzothiophen-3-yl)-3-triphenylen-2-ylcarbazole
• PubChem CID: 170278507
• Molecular Formula: C54H31NOS
• Molecular Weight: 741.92 g/mol
• Exact Mass: 741.21
• IUPAC Name: 9-(8-dibenzofuran-4-yldibenzothiophen-3-yl)-3-triphenylen-2-ylcarbazole
• SMILES: c1ccc2c(c1)oc1c(-c3ccc4sc5cc(-n6c7ccccc7c7cc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)ccc76)ccc5c4c3)cccc12
• InChI: InChI=1S/C54H31NOS/c1-2-12-39-37(10-1)38-11-3-4-13-40(38)46-28-32(20-24-41(39)46)33-21-26-50-47(29-33)42-14-5-7-18-49(42)55(50)35-23-25-44-48-30-34(22-27-52(48)57-53(44)31-35)36-16-9-17-45-43-15-6-8-19-51(43)56-54(36)45/h1-31H
• InChIKey: UYWWRGOYRFTTDH-UHFFFAOYSA-N
• XLogP: 15.84
• TPSA: 18.07 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.92
LogP ≤ 5	15.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(8-dibenzofuran-4-yldibenzothiophen-3-yl)-3-triphenylen-2-ylcarbazole?

The IUPAC name of 9-(8-dibenzofuran-4-yldibenzothiophen-3-yl)-3-triphenylen-2-ylcarbazole (CID 170278507) is 9-(8-dibenzofuran-4-yldibenzothiophen-3-yl)-3-triphenylen-2-ylcarbazole.

What is the SMILES notation for 9-(8-dibenzofuran-4-yldibenzothiophen-3-yl)-3-triphenylen-2-ylcarbazole?

The canonical SMILES for 9-(8-dibenzofuran-4-yldibenzothiophen-3-yl)-3-triphenylen-2-ylcarbazole is c1ccc2c(c1)oc1c(-c3ccc4sc5cc(-n6c7ccccc7c7cc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)ccc76)ccc5c4c3)cccc12.

What is the InChIKey of 9-(8-dibenzofuran-4-yldibenzothiophen-3-yl)-3-triphenylen-2-ylcarbazole?

The InChIKey is UYWWRGOYRFTTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H31NOS/c1-2-12-39-37(10-1)38-11-3-4-13-40(38)46-28-32(20-24-41(39)46)33-21-26-50-47(29-33)42-14-5-7-18-49(42)55(50)35-23-25-44-48-30-34(22-27-52(48)57-53(44)31-35)36-16-9-17-45-43-15-6-8-19-51(43)56-54(36)45/h1-31H.

What are the key properties of 9-(8-dibenzofuran-4-yldibenzothiophen-3-yl)-3-triphenylen-2-ylcarbazole?

9-(8-dibenzofuran-4-yldibenzothiophen-3-yl)-3-triphenylen-2-ylcarbazole has a molecular weight of 741.92 g/mol, XLogP of 15.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(8-dibenzofuran-4-yldibenzothiophen-3-yl)-3-triphenylen-2-ylcarbazole is sourced from PubChem (CID 170278507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).