2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine

C55H36N6 — CID 138484756

About 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine

2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 138484756) has the molecular formula C55H36N6 and a molecular weight of 780.94 g/mol. Its IUPAC name is 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 138484756
• Molecular Formula: C55H36N6
• Molecular Weight: 780.94 g/mol
• Exact Mass: 780.30
• IUPAC Name: 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine
• SMILES: C1=CC2C(C=C1c1nc(-c3ccccc3)nc(-c3ccccc3)n1)c1cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc1C21c2ccccc2-c2ccccc21
• InChI: InChI=1S/C55H36N6/c1-5-17-35(18-6-1)49-56-50(36-19-7-2-8-20-36)59-53(58-49)39-29-31-47-43(33-39)44-34-40(30-32-48(44)55(47)45-27-15-13-25-41(45)42-26-14-16-28-46(42)55)54-60-51(37-21-9-3-10-22-37)57-52(61-54)38-23-11-4-12-24-38/h1-34,43,47H
• InChIKey: LPSVPSUXFPSHRU-UHFFFAOYSA-N
• XLogP: 12.07
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	780.94
LogP ≤ 5	12.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine (CID 138484756) is 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine is C1=CC2C(C=C1c1nc(-c3ccccc3)nc(-c3ccccc3)n1)c1cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc1C21c2ccccc2-c2ccccc21.

What is the InChIKey of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine?

The InChIKey is LPSVPSUXFPSHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N6/c1-5-17-35(18-6-1)49-56-50(36-19-7-2-8-20-36)59-53(58-49)39-29-31-47-43(33-39)44-34-40(30-32-48(44)55(47)45-27-15-13-25-41(45)42-26-14-16-28-46(42)55)54-60-51(37-21-9-3-10-22-37)57-52(61-54)38-23-11-4-12-24-38/h1-34,43,47H.

What are the key properties of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine?

2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 780.94 g/mol, XLogP of 12.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 138484756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).