6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane

C66H45N5O2 — CID 142568683

About 6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane

6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane (PubChem CID 142568683) has the molecular formula C66H45N5O2 and a molecular weight of 940.12 g/mol. Its IUPAC name is 6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane.

Molecular Properties

• Compound Name: 6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane
• PubChem CID: 142568683
• Molecular Formula: C66H45N5O2
• Molecular Weight: 940.12 g/mol
• Exact Mass: 939.36
• IUPAC Name: 6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane
• SMILES: CCC.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)c43)n2)cc1
• InChI: InChI=1S/C63H37N5O2.C3H8/c1-2-15-38(16-3-1)61-64-62(41-31-33-49-47-21-6-10-29-56(47)69-58(49)36-41)66-63(65-61)68-55-34-32-42(67-53-27-8-4-19-45(53)46-20-5-9-28-54(46)67)37-52(55)50-25-13-23-43(59(50)68)39-17-12-18-40(35-39)44-24-14-26-51-48-22-7-11-30-57(48)70-60(44)51;1-3-2/h1-37H;3H2,1-2H3
• InChIKey: NOLAEZCUHRCAGK-UHFFFAOYSA-N
• XLogP: 17.95
• TPSA: 74.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	940.12
LogP ≤ 5	17.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane?

The IUPAC name of 6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane (CID 142568683) is 6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane.

What is the SMILES notation for 6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane?

The canonical SMILES for 6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane is CCC.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)c43)n2)cc1.

What is the InChIKey of 6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane?

The InChIKey is NOLAEZCUHRCAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H37N5O2.C3H8/c1-2-15-38(16-3-1)61-64-62(41-31-33-49-47-21-6-10-29-56(47)69-58(49)36-41)66-63(65-61)68-55-34-32-42(67-53-27-8-4-19-45(53)46-20-5-9-28-54(46)67)37-52(55)50-25-13-23-43(59(50)68)39-17-12-18-40(35-39)44-24-14-26-51-48-22-7-11-30-57(48)70-60(44)51;1-3-2/h1-37H;3H2,1-2H3.

What are the key properties of 6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane?

6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane has a molecular weight of 940.12 g/mol, XLogP of 17.95, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane is sourced from PubChem (CID 142568683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).