2-methyl-4-[7'-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-6-phenyl-1,3,5-triazine

C45H30N6 — CID 58233273

About 2-methyl-4-[7'-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-6-phenyl-1,3,5-triazine

2-methyl-4-[7'-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-6-phenyl-1,3,5-triazine (PubChem CID 58233273) has the molecular formula C45H30N6 and a molecular weight of 654.78 g/mol. Its IUPAC name is 2-methyl-4-[7'-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-methyl-4-[7'-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-6-phenyl-1,3,5-triazine
• PubChem CID: 58233273
• Molecular Formula: C45H30N6
• Molecular Weight: 654.78 g/mol
• Exact Mass: 654.25
• IUPAC Name: 2-methyl-4-[7'-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-6-phenyl-1,3,5-triazine
• SMILES: Cc1nc(-c2ccccc2)nc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4nc(C)nc(-c5ccccc5)n4)ccc2-3)n1
• InChI: InChI=1S/C45H30N6/c1-27-46-41(29-13-5-3-6-14-29)50-43(48-27)31-21-23-35-36-24-22-32(44-49-28(2)47-42(51-44)30-15-7-4-8-16-30)26-40(36)45(39(35)25-31)37-19-11-9-17-33(37)34-18-10-12-20-38(34)45/h3-26H,1-2H3
• InChIKey: ILMAAYSHUPPBKA-UHFFFAOYSA-N
• XLogP: 9.68
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	654.78
LogP ≤ 5	9.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[7'-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-methyl-4-[7'-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-6-phenyl-1,3,5-triazine (CID 58233273) is 2-methyl-4-[7'-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-methyl-4-[7'-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-methyl-4-[7'-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-6-phenyl-1,3,5-triazine is Cc1nc(-c2ccccc2)nc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4nc(C)nc(-c5ccccc5)n4)ccc2-3)n1.

What is the InChIKey of 2-methyl-4-[7'-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-6-phenyl-1,3,5-triazine?

The InChIKey is ILMAAYSHUPPBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N6/c1-27-46-41(29-13-5-3-6-14-29)50-43(48-27)31-21-23-35-36-24-22-32(44-49-28(2)47-42(51-44)30-15-7-4-8-16-30)26-40(36)45(39(35)25-31)37-19-11-9-17-33(37)34-18-10-12-20-38(34)45/h3-26H,1-2H3.

What are the key properties of 2-methyl-4-[7'-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-6-phenyl-1,3,5-triazine?

2-methyl-4-[7'-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 654.78 g/mol, XLogP of 9.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-4-[7'-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 58233273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).