9-[4-[4-carbazol-9-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-(3-phenylphenyl)dibenzofuran-2-yl]carbazole

C57H35N5O — CID 162780660

About 9-[4-[4-carbazol-9-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-(3-phenylphenyl)dibenzofuran-2-yl]carbazole

9-[4-[4-carbazol-9-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-(3-phenylphenyl)dibenzofuran-2-yl]carbazole (PubChem CID 162780660) has the molecular formula C57H35N5O and a molecular weight of 810.97 g/mol. Its IUPAC name is 9-[4-[4-carbazol-9-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-(3-phenylphenyl)dibenzofuran-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[4-carbazol-9-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-(3-phenylphenyl)dibenzofuran-2-yl]carbazole
• PubChem CID: 162780660
• Molecular Formula: C57H35N5O
• Molecular Weight: 810.97 g/mol
• Exact Mass: 810.32
• IUPAC Name: 9-[4-[4-carbazol-9-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-(3-phenylphenyl)dibenzofuran-2-yl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3oc3c(-c5cccc(-c6ccccc6)c5)cccc34)nc(-n3c4ccccc4c4ccccc43)n2)c([2H])c1[2H]
• InChI: InChI=1S/C57H35N5O/c1-3-17-36(18-4-1)38-21-15-22-39(33-38)41-27-16-28-46-47-34-40(61-49-29-11-7-23-42(49)43-24-8-12-30-50(43)61)35-48(54(47)63-53(41)46)56-58-55(37-19-5-2-6-20-37)59-57(60-56)62-51-31-13-9-25-44(51)45-26-10-14-32-52(45)62/h1-35H/i2D,5D,6D,19D,20D
• InChIKey: ANKSEWMMNYAWHA-VCZADUSTSA-N
• XLogP: 14.63
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	810.97
LogP ≤ 5	14.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-carbazol-9-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-(3-phenylphenyl)dibenzofuran-2-yl]carbazole?

The IUPAC name of 9-[4-[4-carbazol-9-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-(3-phenylphenyl)dibenzofuran-2-yl]carbazole (CID 162780660) is 9-[4-[4-carbazol-9-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-(3-phenylphenyl)dibenzofuran-2-yl]carbazole.

What is the SMILES notation for 9-[4-[4-carbazol-9-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-(3-phenylphenyl)dibenzofuran-2-yl]carbazole?

The canonical SMILES for 9-[4-[4-carbazol-9-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-(3-phenylphenyl)dibenzofuran-2-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3oc3c(-c5cccc(-c6ccccc6)c5)cccc34)nc(-n3c4ccccc4c4ccccc43)n2)c([2H])c1[2H].

What is the InChIKey of 9-[4-[4-carbazol-9-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-(3-phenylphenyl)dibenzofuran-2-yl]carbazole?

The InChIKey is ANKSEWMMNYAWHA-VCZADUSTSA-N. The full InChI is InChI=1S/C57H35N5O/c1-3-17-36(18-4-1)38-21-15-22-39(33-38)41-27-16-28-46-47-34-40(61-49-29-11-7-23-42(49)43-24-8-12-30-50(43)61)35-48(54(47)63-53(41)46)56-58-55(37-19-5-2-6-20-37)59-57(60-56)62-51-31-13-9-25-44(51)45-26-10-14-32-52(45)62/h1-35H/i2D,5D,6D,19D,20D.

What are the key properties of 9-[4-[4-carbazol-9-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-(3-phenylphenyl)dibenzofuran-2-yl]carbazole?

9-[4-[4-carbazol-9-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-(3-phenylphenyl)dibenzofuran-2-yl]carbazole has a molecular weight of 810.97 g/mol, XLogP of 14.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[4-carbazol-9-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-(3-phenylphenyl)dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 162780660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).