9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]-1,2,3,4-tetradeuteriocarbazole

C59H36N4O — CID 171578181

About 9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]-1,2,3,4-tetradeuteriocarbazole

9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]-1,2,3,4-tetradeuteriocarbazole (PubChem CID 171578181) has the molecular formula C59H36N4O and a molecular weight of 820.99 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]-1,2,3,4-tetradeuteriocarbazole.

Molecular Properties

• Compound Name: 9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]-1,2,3,4-tetradeuteriocarbazole
• PubChem CID: 171578181
• Molecular Formula: C59H36N4O
• Molecular Weight: 820.99 g/mol
• Exact Mass: 820.31
• IUPAC Name: 9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]-1,2,3,4-tetradeuteriocarbazole
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c1ccccc1n2-c1cc(-n2c3ccccc3c3ccccc32)cc(-c2c(-c3ccc4oc5ccccc5c4c3)cccc2-n2c3ccccc3c3ccccc32)n1
• InChI: InChI=1S/C59H36N4O/c1-8-24-49-40(16-1)41-17-2-9-25-50(41)61(49)38-35-48(60-58(36-38)63-53-28-12-5-20-44(53)45-21-6-13-29-54(45)63)59-39(37-32-33-57-47(34-37)46-22-7-14-31-56(46)64-57)23-15-30-55(59)62-51-26-10-3-18-42(51)43-19-4-11-27-52(43)62/h1-36H/i5D,12D,20D,28D
• InChIKey: XRQYGSWYSUXZKQ-QPZFSFLSSA-N
• XLogP: 15.61
• TPSA: 40.82 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	820.99
LogP ≤ 5	15.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]-1,2,3,4-tetradeuteriocarbazole?

The IUPAC name of 9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]-1,2,3,4-tetradeuteriocarbazole (CID 171578181) is 9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]-1,2,3,4-tetradeuteriocarbazole.

What is the SMILES notation for 9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]-1,2,3,4-tetradeuteriocarbazole?

The canonical SMILES for 9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]-1,2,3,4-tetradeuteriocarbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1ccccc1n2-c1cc(-n2c3ccccc3c3ccccc32)cc(-c2c(-c3ccc4oc5ccccc5c4c3)cccc2-n2c3ccccc3c3ccccc32)n1.

What is the InChIKey of 9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]-1,2,3,4-tetradeuteriocarbazole?

The InChIKey is XRQYGSWYSUXZKQ-QPZFSFLSSA-N. The full InChI is InChI=1S/C59H36N4O/c1-8-24-49-40(16-1)41-17-2-9-25-50(41)61(49)38-35-48(60-58(36-38)63-53-28-12-5-20-44(53)45-21-6-13-29-54(45)63)59-39(37-32-33-57-47(34-37)46-22-7-14-31-56(46)64-57)23-15-30-55(59)62-51-26-10-3-18-42(51)43-19-4-11-27-52(43)62/h1-36H/i5D,12D,20D,28D.

What are the key properties of 9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]-1,2,3,4-tetradeuteriocarbazole?

9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]-1,2,3,4-tetradeuteriocarbazole has a molecular weight of 820.99 g/mol, XLogP of 15.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]-1,2,3,4-tetradeuteriocarbazole is sourced from PubChem (CID 171578181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).