9-[4-[4-(9,9-dimethylfluoren-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole

C60H40N4S — CID 162780430

About 9-[4-[4-(9,9-dimethylfluoren-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole

9-[4-[4-(9,9-dimethylfluoren-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole (PubChem CID 162780430) has the molecular formula C60H40N4S and a molecular weight of 854.11 g/mol. Its IUPAC name is 9-[4-[4-(9,9-dimethylfluoren-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[4-(9,9-dimethylfluoren-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole
• PubChem CID: 162780430
• Molecular Formula: C60H40N4S
• Molecular Weight: 854.11 g/mol
• Exact Mass: 853.33
• IUPAC Name: 9-[4-[4-(9,9-dimethylfluoren-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2nc(-c3cccc4c3C(C)(C)c3ccccc3-4)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3ccc(-c5cccc(-c6ccccc6)c5)cc34)n2)c([2H])c1[2H]
• InChI: InChI=1S/C60H40N4S/c1-60(2)51-28-12-9-23-43(51)46-26-16-27-47(55(46)60)58-61-57(38-19-7-4-8-20-38)62-59(63-58)50-36-42(64-52-29-13-10-24-44(52)45-25-11-14-30-53(45)64)35-49-48-34-41(31-32-54(48)65-56(49)50)40-22-15-21-39(33-40)37-17-5-3-6-18-37/h3-36H,1-2H3/i4D,7D,8D,19D,20D
• InChIKey: QCDJGPLFEKTTNX-XZKHOIIZSA-N
• XLogP: 15.98
• TPSA: 43.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	854.11
LogP ≤ 5	15.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(9,9-dimethylfluoren-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole?

The IUPAC name of 9-[4-[4-(9,9-dimethylfluoren-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole (CID 162780430) is 9-[4-[4-(9,9-dimethylfluoren-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole.

What is the SMILES notation for 9-[4-[4-(9,9-dimethylfluoren-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole?

The canonical SMILES for 9-[4-[4-(9,9-dimethylfluoren-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2nc(-c3cccc4c3C(C)(C)c3ccccc3-4)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3ccc(-c5cccc(-c6ccccc6)c5)cc34)n2)c([2H])c1[2H].

What is the InChIKey of 9-[4-[4-(9,9-dimethylfluoren-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole?

The InChIKey is QCDJGPLFEKTTNX-XZKHOIIZSA-N. The full InChI is InChI=1S/C60H40N4S/c1-60(2)51-28-12-9-23-43(51)46-26-16-27-47(55(46)60)58-61-57(38-19-7-4-8-20-38)62-59(63-58)50-36-42(64-52-29-13-10-24-44(52)45-25-11-14-30-53(45)64)35-49-48-34-41(31-32-54(48)65-56(49)50)40-22-15-21-39(33-40)37-17-5-3-6-18-37/h3-36H,1-2H3/i4D,7D,8D,19D,20D.

What are the key properties of 9-[4-[4-(9,9-dimethylfluoren-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole?

9-[4-[4-(9,9-dimethylfluoren-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole has a molecular weight of 854.11 g/mol, XLogP of 15.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[4-(9,9-dimethylfluoren-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 162780430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).