2-[7-(9-fluoro-9-methylfluoren-2-yl)naphthalen-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

C43H28FN3 — CID 145277065

About 2-[7-(9-fluoro-9-methylfluoren-2-yl)naphthalen-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

2-[7-(9-fluoro-9-methylfluoren-2-yl)naphthalen-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (PubChem CID 145277065) has the molecular formula C43H28FN3 and a molecular weight of 605.72 g/mol. Its IUPAC name is 2-[7-(9-fluoro-9-methylfluoren-2-yl)naphthalen-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[7-(9-fluoro-9-methylfluoren-2-yl)naphthalen-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
• PubChem CID: 145277065
• Molecular Formula: C43H28FN3
• Molecular Weight: 605.72 g/mol
• Exact Mass: 605.23
• IUPAC Name: 2-[7-(9-fluoro-9-methylfluoren-2-yl)naphthalen-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
• SMILES: CC1(F)c2ccccc2-c2ccc(-c3ccc4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)cc4c3)cc21
• InChI: InChI=1S/C43H28FN3/c1-43(44)38-14-8-7-13-36(38)37-22-21-32(26-39(37)43)31-18-15-28-17-20-34(25-35(28)24-31)42-46-40(29-10-3-2-4-11-29)45-41(47-42)33-19-16-27-9-5-6-12-30(27)23-33/h2-26H,1H3
• InChIKey: NBDFQAZYKGDQJO-UHFFFAOYSA-N
• XLogP: 11.06
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.72
LogP ≤ 5	11.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[7-(9-fluoro-9-methylfluoren-2-yl)naphthalen-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-[7-(9-fluoro-9-methylfluoren-2-yl)naphthalen-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (CID 145277065) is 2-[7-(9-fluoro-9-methylfluoren-2-yl)naphthalen-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-[7-(9-fluoro-9-methylfluoren-2-yl)naphthalen-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-[7-(9-fluoro-9-methylfluoren-2-yl)naphthalen-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is CC1(F)c2ccccc2-c2ccc(-c3ccc4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)cc4c3)cc21.

What is the InChIKey of 2-[7-(9-fluoro-9-methylfluoren-2-yl)naphthalen-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?

The InChIKey is NBDFQAZYKGDQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28FN3/c1-43(44)38-14-8-7-13-36(38)37-22-21-32(26-39(37)43)31-18-15-28-17-20-34(25-35(28)24-31)42-46-40(29-10-3-2-4-11-29)45-41(47-42)33-19-16-27-9-5-6-12-30(27)23-33/h2-26H,1H3.

What are the key properties of 2-[7-(9-fluoro-9-methylfluoren-2-yl)naphthalen-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?

2-[7-(9-fluoro-9-methylfluoren-2-yl)naphthalen-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine has a molecular weight of 605.72 g/mol, XLogP of 11.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-(9-fluoro-9-methylfluoren-2-yl)naphthalen-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 145277065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).