9-[6-[2-[4-(6-carbazol-9-yl-2-pyridinyl)-6-phenylpyrimidin-2-yl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]carbazole

C54H34N8 — CID 59500751

About 9-[6-[2-[4-(6-carbazol-9-yl-2-pyridinyl)-6-phenylpyrimidin-2-yl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]carbazole

9-[6-[2-[4-(6-carbazol-9-yl-2-pyridinyl)-6-phenylpyrimidin-2-yl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]carbazole (PubChem CID 59500751) has the molecular formula C54H34N8 and a molecular weight of 794.92 g/mol. Its IUPAC name is 9-[6-[2-[4-(6-carbazol-9-yl-2-pyridinyl)-6-phenylpyrimidin-2-yl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]carbazole.

Molecular Properties

• Compound Name: 9-[6-[2-[4-(6-carbazol-9-yl-2-pyridinyl)-6-phenylpyrimidin-2-yl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]carbazole
• PubChem CID: 59500751
• Molecular Formula: C54H34N8
• Molecular Weight: 794.92 g/mol
• Exact Mass: 794.29
• IUPAC Name: 9-[6-[2-[4-(6-carbazol-9-yl-2-pyridinyl)-6-phenylpyrimidin-2-yl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]carbazole
• SMILES: c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)n3)nc(-c3nc(-c4ccccc4)cc(-c4cccc(-n5c6ccccc6c6ccccc65)n4)n3)n2)cc1
• InChI: InChI=1S/C54H34N8/c1-3-17-35(18-4-1)43-33-45(41-25-15-31-51(55-41)61-47-27-11-7-21-37(47)38-22-8-12-28-48(38)61)59-53(57-43)54-58-44(36-19-5-2-6-20-36)34-46(60-54)42-26-16-32-52(56-42)62-49-29-13-9-23-39(49)40-24-10-14-30-50(40)62/h1-34H
• InChIKey: ZDBUCWHDTOKTRP-UHFFFAOYSA-N
• XLogP: 12.59
• TPSA: 87.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	794.92
LogP ≤ 5	12.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 9-[6-[2-[4-(6-carbazol-9-yl-2-pyridinyl)-6-phenylpyrimidin-2-yl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]carbazole (CID 59500751) is 9-[6-[2-[4-(6-carbazol-9-yl-2-pyridinyl)-6-phenylpyrimidin-2-yl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]carbazole.

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

The canonical SMILES for 9-[6-[2-[4-(6-carbazol-9-yl-2-pyridinyl)-6-phenylpyrimidin-2-yl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]carbazole is c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)n3)nc(-c3nc(-c4ccccc4)cc(-c4cccc(-n5c6ccccc6c6ccccc65)n4)n3)n2)cc1.

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

The InChIKey is ZDBUCWHDTOKTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N8/c1-3-17-35(18-4-1)43-33-45(41-25-15-31-51(55-41)61-47-27-11-7-21-37(47)38-22-8-12-28-48(38)61)59-53(57-43)54-58-44(36-19-5-2-6-20-36)34-46(60-54)42-26-16-32-52(56-42)62-49-29-13-9-23-39(49)40-24-10-14-30-50(40)62/h1-34H.

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

9-[6-[2-[4-(6-carbazol-9-yl-2-pyridinyl)-6-phenylpyrimidin-2-yl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]carbazole has a molecular weight of 794.92 g/mol, XLogP of 12.59, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[6-[2-[4-(6-carbazol-9-yl-2-pyridinyl)-6-phenylpyrimidin-2-yl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]carbazole is sourced from PubChem (CID 59500751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).