9-[6-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-2-pyridinyl]carbazole

C48H34N4 — CID 67678292

About 9-[6-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-2-pyridinyl]carbazole

9-[6-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-2-pyridinyl]carbazole (PubChem CID 67678292) has the molecular formula C48H34N4 and a molecular weight of 666.83 g/mol. Its IUPAC name is 9-[6-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-2-pyridinyl]carbazole.

Molecular Properties

• Compound Name: 9-[6-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-2-pyridinyl]carbazole
• PubChem CID: 67678292
• Molecular Formula: C48H34N4
• Molecular Weight: 666.83 g/mol
• Exact Mass: 666.28
• IUPAC Name: 9-[6-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-2-pyridinyl]carbazole
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)n5)cc4)nc(-c4ccccc4)n3)cc21
• InChI: InChI=1S/C48H34N4/c1-48(2)39-18-9-6-15-35(39)36-28-27-34(29-40(36)48)43-30-42(50-47(51-43)33-13-4-3-5-14-33)32-25-23-31(24-26-32)41-19-12-22-46(49-41)52-44-20-10-7-16-37(44)38-17-8-11-21-45(38)52/h3-30H,1-2H3
• InChIKey: HLQRAJMHEAWHOH-UHFFFAOYSA-N
• XLogP: 11.94
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	666.83
LogP ≤ 5	11.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-[6-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-2-pyridinyl]carbazole?

The IUPAC name of 9-[6-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-2-pyridinyl]carbazole (CID 67678292) is 9-[6-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-2-pyridinyl]carbazole.

What is the SMILES notation for 9-[6-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-2-pyridinyl]carbazole?

The canonical SMILES for 9-[6-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-2-pyridinyl]carbazole is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)n5)cc4)nc(-c4ccccc4)n3)cc21.

What is the InChIKey of 9-[6-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-2-pyridinyl]carbazole?

The InChIKey is HLQRAJMHEAWHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4/c1-48(2)39-18-9-6-15-35(39)36-28-27-34(29-40(36)48)43-30-42(50-47(51-43)33-13-4-3-5-14-33)32-25-23-31(24-26-32)41-19-12-22-46(49-41)52-44-20-10-7-16-37(44)38-17-8-11-21-45(38)52/h3-30H,1-2H3.

What are the key properties of 9-[6-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-2-pyridinyl]carbazole?

9-[6-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-2-pyridinyl]carbazole has a molecular weight of 666.83 g/mol, XLogP of 11.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[6-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-2-pyridinyl]carbazole is sourced from PubChem (CID 67678292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).