1-[4-[4-(4-indol-1-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]pyrrolo[2,3-b]pyridine

C55H34N6 — CID 58273815

About 1-[4-[4-(4-indol-1-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]pyrrolo[2,3-b]pyridine

1-[4-[4-(4-indol-1-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]pyrrolo[2,3-b]pyridine (PubChem CID 58273815) has the molecular formula C55H34N6 and a molecular weight of 778.92 g/mol. Its IUPAC name is 1-[4-[4-(4-indol-1-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 1-[4-[4-(4-indol-1-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]pyrrolo[2,3-b]pyridine
• PubChem CID: 58273815
• Molecular Formula: C55H34N6
• Molecular Weight: 778.92 g/mol
• Exact Mass: 778.28
• IUPAC Name: 1-[4-[4-(4-indol-1-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]pyrrolo[2,3-b]pyridine
• SMILES: c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3nc(-c4ccc(-n5ccc6ccccc65)cc4)nc(-c4ccc(-n5ccc6cccnc65)cc4)n3)cc21
• InChI: InChI=1S/C55H34N6/c1-8-18-50-35(10-1)29-32-60(50)40-24-19-36(20-25-40)51-57-52(37-21-26-41(27-22-37)61-33-30-38-11-9-31-56-54(38)61)59-53(58-51)39-23-28-45-44-14-4-7-17-48(44)55(49(45)34-39)46-15-5-2-12-42(46)43-13-3-6-16-47(43)55/h1-34H
• InChIKey: ZJSYWDDVNNCDBZ-UHFFFAOYSA-N
• XLogP: 12.50
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	778.92
LogP ≤ 5	12.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-indol-1-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]pyrrolo[2,3-b]pyridine?

The IUPAC name of 1-[4-[4-(4-indol-1-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]pyrrolo[2,3-b]pyridine (CID 58273815) is 1-[4-[4-(4-indol-1-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 1-[4-[4-(4-indol-1-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]pyrrolo[2,3-b]pyridine?

The canonical SMILES for 1-[4-[4-(4-indol-1-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]pyrrolo[2,3-b]pyridine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3nc(-c4ccc(-n5ccc6ccccc65)cc4)nc(-c4ccc(-n5ccc6cccnc65)cc4)n3)cc21.

What is the InChIKey of 1-[4-[4-(4-indol-1-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]pyrrolo[2,3-b]pyridine?

The InChIKey is ZJSYWDDVNNCDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N6/c1-8-18-50-35(10-1)29-32-60(50)40-24-19-36(20-25-40)51-57-52(37-21-26-41(27-22-37)61-33-30-38-11-9-31-56-54(38)61)59-53(58-51)39-23-28-45-44-14-4-7-17-48(44)55(49(45)34-39)46-15-5-2-12-42(46)43-13-3-6-16-47(43)55/h1-34H.

What are the key properties of 1-[4-[4-(4-indol-1-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]pyrrolo[2,3-b]pyridine?

1-[4-[4-(4-indol-1-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]pyrrolo[2,3-b]pyridine has a molecular weight of 778.92 g/mol, XLogP of 12.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-(4-indol-1-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58273815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).