4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine

C59H39N5O — CID 153297757

About 4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine

4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine (PubChem CID 153297757) has the molecular formula C59H39N5O and a molecular weight of 834.00 g/mol. Its IUPAC name is 4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine.

Molecular Properties

• Compound Name: 4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine
• PubChem CID: 153297757
• Molecular Formula: C59H39N5O
• Molecular Weight: 834.00 g/mol
• Exact Mass: 833.32
• IUPAC Name: 4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine
• SMILES: CC1(C)c2ccccc2-c2c(-c3cccc4c3-c3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c3C43c4ccccc4Oc4ccccc43)nc(-c3ccccc3)nc21
• InChI: InChI=1S/C59H39N5O/c1-58(2)43-30-13-12-26-39(43)50-52(60-54(61-53(50)58)36-20-6-3-7-21-36)41-28-19-33-46-49(41)40-27-18-29-42(51(40)59(46)44-31-14-16-34-47(44)65-48-35-17-15-32-45(48)59)57-63-55(37-22-8-4-9-23-37)62-56(64-57)38-24-10-5-11-25-38/h3-35H,1-2H3
• InChIKey: OHTNOHUPARYGFF-UHFFFAOYSA-N
• XLogP: 13.77
• TPSA: 73.68 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	834.00
LogP ≤ 5	13.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine?

The IUPAC name of 4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine (CID 153297757) is 4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine.

What is the SMILES notation for 4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine?

The canonical SMILES for 4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine is CC1(C)c2ccccc2-c2c(-c3cccc4c3-c3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c3C43c4ccccc4Oc4ccccc43)nc(-c3ccccc3)nc21.

What is the InChIKey of 4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine?

The InChIKey is OHTNOHUPARYGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N5O/c1-58(2)43-30-13-12-26-39(43)50-52(60-54(61-53(50)58)36-20-6-3-7-21-36)41-28-19-33-46-49(41)40-27-18-29-42(51(40)59(46)44-31-14-16-34-47(44)65-48-35-17-15-32-45(48)59)57-63-55(37-22-8-4-9-23-37)62-56(64-57)38-24-10-5-11-25-38/h3-35H,1-2H3.

What are the key properties of 4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine?

4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine has a molecular weight of 834.00 g/mol, XLogP of 13.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine is sourced from PubChem (CID 153297757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).