3,6-ditert-butyl-9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole

C65H50N4O2 — CID 146281036

About 3,6-ditert-butyl-9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole

3,6-ditert-butyl-9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole (PubChem CID 146281036) has the molecular formula C65H50N4O2 and a molecular weight of 919.14 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole.

Molecular Properties

• Compound Name: 3,6-ditert-butyl-9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole
• PubChem CID: 146281036
• Molecular Formula: C65H50N4O2
• Molecular Weight: 919.14 g/mol
• Exact Mass: 918.39
• IUPAC Name: 3,6-ditert-butyl-9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole
• SMILES: CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(-c2ccccc2)cc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1-c1ccccc1
• InChI: InChI=1S/C65H50N4O2/c1-64(2,3)44-27-31-54-52(37-44)53-38-45(65(4,5)6)28-32-55(53)69(54)60-50(39-17-9-7-10-18-39)33-43(34-51(60)40-19-11-8-12-20-40)63-67-61(41-25-29-48-46-21-13-15-23-56(46)70-58(48)35-41)66-62(68-63)42-26-30-49-47-22-14-16-24-57(47)71-59(49)36-42/h7-38H,1-6H3
• InChIKey: LXFAQXBPCKYXSL-UHFFFAOYSA-N
• XLogP: 17.70
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	919.14
LogP ≤ 5	17.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole?

The IUPAC name of 3,6-ditert-butyl-9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole (CID 146281036) is 3,6-ditert-butyl-9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole.

What is the SMILES notation for 3,6-ditert-butyl-9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole?

The canonical SMILES for 3,6-ditert-butyl-9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(-c2ccccc2)cc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1-c1ccccc1.

What is the InChIKey of 3,6-ditert-butyl-9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole?

The InChIKey is LXFAQXBPCKYXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H50N4O2/c1-64(2,3)44-27-31-54-52(37-44)53-38-45(65(4,5)6)28-32-55(53)69(54)60-50(39-17-9-7-10-18-39)33-43(34-51(60)40-19-11-8-12-20-40)63-67-61(41-25-29-48-46-21-13-15-23-56(46)70-58(48)35-41)66-62(68-63)42-26-30-49-47-22-14-16-24-57(47)71-59(49)36-42/h7-38H,1-6H3.

What are the key properties of 3,6-ditert-butyl-9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole?

3,6-ditert-butyl-9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole has a molecular weight of 919.14 g/mol, XLogP of 17.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-ditert-butyl-9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole is sourced from PubChem (CID 146281036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).