2-[9,9-dimethyl-6'-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenyl-1,3,5-triazine

C64H44N6 — CID 153293179

About 2-[9,9-dimethyl-6'-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenyl-1,3,5-triazine

2-[9,9-dimethyl-6'-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 153293179) has the molecular formula C64H44N6 and a molecular weight of 897.10 g/mol. Its IUPAC name is 2-[9,9-dimethyl-6'-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[9,9-dimethyl-6'-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 153293179
• Molecular Formula: C64H44N6
• Molecular Weight: 897.10 g/mol
• Exact Mass: 896.36
• IUPAC Name: 2-[9,9-dimethyl-6'-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenyl-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2C2(c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5-c5ccccc5)n4)cc3-c3c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc32)c2ccccc21
• InChI: InChI=1S/C64H44N6/c1-63(2)51-33-17-19-35-53(51)64(54-36-20-18-34-52(54)63)50-39-38-45(60-66-59(44-28-13-6-14-29-44)67-61(70-60)47-31-16-15-30-46(47)41-22-7-3-8-23-41)40-49(50)56-48(32-21-37-55(56)64)62-68-57(42-24-9-4-10-25-42)65-58(69-62)43-26-11-5-12-27-43/h3-40H,1-2H3
• InChIKey: FRMVEFVZXRAMHL-UHFFFAOYSA-N
• XLogP: 14.73
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	897.10
LogP ≤ 5	14.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[9,9-dimethyl-6'-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-[9,9-dimethyl-6'-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenyl-1,3,5-triazine (CID 153293179) is 2-[9,9-dimethyl-6'-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2-[9,9-dimethyl-6'-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2-[9,9-dimethyl-6'-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccccc2C2(c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5-c5ccccc5)n4)cc3-c3c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc32)c2ccccc21.

What is the InChIKey of 2-[9,9-dimethyl-6'-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenyl-1,3,5-triazine?

The InChIKey is FRMVEFVZXRAMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N6/c1-63(2)51-33-17-19-35-53(51)64(54-36-20-18-34-52(54)63)50-39-38-45(60-66-59(44-28-13-6-14-29-44)67-61(70-60)47-31-16-15-30-46(47)41-22-7-3-8-23-41)40-49(50)56-48(32-21-37-55(56)64)62-68-57(42-24-9-4-10-25-42)65-58(69-62)43-26-11-5-12-27-43/h3-40H,1-2H3.

What are the key properties of 2-[9,9-dimethyl-6'-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenyl-1,3,5-triazine?

2-[9,9-dimethyl-6'-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 897.10 g/mol, XLogP of 14.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9,9-dimethyl-6'-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 153293179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).