3-tert-butyl-6-[3-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole

C67H47N5O — CID 138475035

About 3-tert-butyl-6-[3-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole

3-tert-butyl-6-[3-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole (PubChem CID 138475035) has the molecular formula C67H47N5O and a molecular weight of 938.15 g/mol. Its IUPAC name is 3-tert-butyl-6-[3-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-tert-butyl-6-[3-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
• PubChem CID: 138475035
• Molecular Formula: C67H47N5O
• Molecular Weight: 938.15 g/mol
• Exact Mass: 937.38
• IUPAC Name: 3-tert-butyl-6-[3-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
• SMILES: CC(C)(C)c1ccc2c(c1)c1cc(-c3cccc(-c4ccc5oc6cccc(-c7ccc8c(c7)c7ccccc7n8-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)c3)ccc1n2-c1ccccc1
• InChI: InChI=1S/C67H47N5O/c1-67(2,3)49-32-35-59-55(41-49)54-38-46(29-33-58(54)71(59)50-23-11-6-12-24-50)44-21-15-22-45(37-44)47-31-36-61-56(39-47)63-51(26-16-28-62(63)73-61)48-30-34-60-53(40-48)52-25-13-14-27-57(52)72(60)66-69-64(42-17-7-4-8-18-42)68-65(70-66)43-19-9-5-10-20-43/h4-41H,1-3H3
• InChIKey: YPHRAHDVWIKUOR-UHFFFAOYSA-N
• XLogP: 17.60
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	938.15
LogP ≤ 5	17.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-[3-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole?

The IUPAC name of 3-tert-butyl-6-[3-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole (CID 138475035) is 3-tert-butyl-6-[3-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole.

What is the SMILES notation for 3-tert-butyl-6-[3-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole?

The canonical SMILES for 3-tert-butyl-6-[3-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole is CC(C)(C)c1ccc2c(c1)c1cc(-c3cccc(-c4ccc5oc6cccc(-c7ccc8c(c7)c7ccccc7n8-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)c3)ccc1n2-c1ccccc1.

What is the InChIKey of 3-tert-butyl-6-[3-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole?

The InChIKey is YPHRAHDVWIKUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H47N5O/c1-67(2,3)49-32-35-59-55(41-49)54-38-46(29-33-58(54)71(59)50-23-11-6-12-24-50)44-21-15-22-45(37-44)47-31-36-61-56(39-47)63-51(26-16-28-62(63)73-61)48-30-34-60-53(40-48)52-25-13-14-27-57(52)72(60)66-69-64(42-17-7-4-8-18-42)68-65(70-66)43-19-9-5-10-20-43/h4-41H,1-3H3.

What are the key properties of 3-tert-butyl-6-[3-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole?

3-tert-butyl-6-[3-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole has a molecular weight of 938.15 g/mol, XLogP of 17.60, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-6-[3-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 138475035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).