4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-pyridin-2-ylpyrimidine

C40H29N3 — CID 168777700

About 4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-pyridin-2-ylpyrimidine

4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-pyridin-2-ylpyrimidine (PubChem CID 168777700) has the molecular formula C40H29N3 and a molecular weight of 551.69 g/mol. Its IUPAC name is 4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-pyridin-2-ylpyrimidine.

Molecular Properties

• Compound Name: 4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-pyridin-2-ylpyrimidine
• PubChem CID: 168777700
• Molecular Formula: C40H29N3
• Molecular Weight: 551.69 g/mol
• Exact Mass: 551.24
• IUPAC Name: 4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-pyridin-2-ylpyrimidine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccc5)n4)c4ccccc34)cc21
• InChI: InChI=1S/C40H29N3/c1-40(2)34-17-9-8-16-31(34)32-20-19-27(24-35(32)40)28-21-22-33(30-15-7-6-14-29(28)30)37-25-38(36-18-10-11-23-41-36)43-39(42-37)26-12-4-3-5-13-26/h3-25H,1-2H3
• InChIKey: SKLXBBKLPOXLPG-UHFFFAOYSA-N
• XLogP: 10.00
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.69
LogP ≤ 5	10.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-pyridin-2-ylpyrimidine?

The IUPAC name of 4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-pyridin-2-ylpyrimidine (CID 168777700) is 4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-pyridin-2-ylpyrimidine.

What is the SMILES notation for 4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-pyridin-2-ylpyrimidine?

The canonical SMILES for 4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-pyridin-2-ylpyrimidine is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccc5)n4)c4ccccc34)cc21.

What is the InChIKey of 4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-pyridin-2-ylpyrimidine?

The InChIKey is SKLXBBKLPOXLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N3/c1-40(2)34-17-9-8-16-31(34)32-20-19-27(24-35(32)40)28-21-22-33(30-15-7-6-14-29(28)30)37-25-38(36-18-10-11-23-41-36)43-39(42-37)26-12-4-3-5-13-26/h3-25H,1-2H3.

What are the key properties of 4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-pyridin-2-ylpyrimidine?

4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-pyridin-2-ylpyrimidine has a molecular weight of 551.69 g/mol, XLogP of 10.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-pyridin-2-ylpyrimidine is sourced from PubChem (CID 168777700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).