12-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole

C69H41N5O2 — CID 146281049

About 12-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole

12-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole (PubChem CID 146281049) has the molecular formula C69H41N5O2 and a molecular weight of 972.12 g/mol. Its IUPAC name is 12-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 12-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole
• PubChem CID: 146281049
• Molecular Formula: C69H41N5O2
• Molecular Weight: 972.12 g/mol
• Exact Mass: 971.33
• IUPAC Name: 12-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole
• SMILES: c1ccc(-c2cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc(-c3ccccc3)c2-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc1
• InChI: InChI=1S/C69H41N5O2/c1-4-18-42(19-5-1)55-38-46(69-71-67(44-32-34-51-49-25-12-16-30-60(49)75-62(51)40-44)70-68(72-69)45-33-35-52-50-26-13-17-31-61(50)76-63(52)41-45)39-56(43-20-6-2-7-21-43)65(55)74-57-28-14-10-24-48(57)53-36-37-59-64(66(53)74)54-27-11-15-29-58(54)73(59)47-22-8-3-9-23-47/h1-41H
• InChIKey: KWMVFIXWNSXKCC-UHFFFAOYSA-N
• XLogP: 18.20
• TPSA: 74.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	972.12
LogP ≤ 5	18.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 12-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole?

The IUPAC name of 12-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole (CID 146281049) is 12-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole.

What is the SMILES notation for 12-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole?

The canonical SMILES for 12-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole is c1ccc(-c2cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc(-c3ccccc3)c2-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc1.

What is the InChIKey of 12-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole?

The InChIKey is KWMVFIXWNSXKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H41N5O2/c1-4-18-42(19-5-1)55-38-46(69-71-67(44-32-34-51-49-25-12-16-30-60(49)75-62(51)40-44)70-68(72-69)45-33-35-52-50-26-13-17-31-61(50)76-63(52)41-45)39-56(43-20-6-2-7-21-43)65(55)74-57-28-14-10-24-48(57)53-36-37-59-64(66(53)74)54-27-11-15-29-58(54)73(59)47-22-8-3-9-23-47/h1-41H.

What are the key properties of 12-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole?

12-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole has a molecular weight of 972.12 g/mol, XLogP of 18.20, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 146281049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).