2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine

C₃₅H₂₉N — CID 66594001

About 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine

2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine (PubChem CID 66594001) has the molecular formula C₃₅H₂₉N and a molecular weight of 463.62 g/mol. Its IUPAC name is 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine.

Molecular Properties

• Compound Name: 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine
• PubChem CID: 66594001
• Molecular Formula: C₃₅H₂₉N
• Molecular Weight: 463.62 g/mol
• Exact Mass: 463.23
• IUPAC Name: 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine
• SMILES: CC1(C)c2ccccc2-c2cc(-c3cccc(-c4ccc5c(n4)-c4ccccc4C5(C)C)c3)ccc21
• InChI: InChI=1S/C35H29N/c1-34(2)28-14-7-5-12-25(28)27-21-23(16-17-30(27)34)22-10-9-11-24(20-22)32-19-18-31-33(36-32)26-13-6-8-15-29(26)35(31,3)4/h5-21H,1-4H3
• InChIKey: FGCRFFGDKFICGH-UHFFFAOYSA-N
• XLogP: 9.03
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.62
LogP ≤ 5	9.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine?

The IUPAC name of 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine (CID 66594001) is 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine.

What is the SMILES notation for 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine?

The canonical SMILES for 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine is CC1(C)c2ccccc2-c2cc(-c3cccc(-c4ccc5c(n4)-c4ccccc4C5(C)C)c3)ccc21.

What is the InChIKey of 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine?

The InChIKey is FGCRFFGDKFICGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29N/c1-34(2)28-14-7-5-12-25(28)27-21-23(16-17-30(27)34)22-10-9-11-24(20-22)32-19-18-31-33(36-32)26-13-6-8-15-29(26)35(31,3)4/h5-21H,1-4H3.

What are the key properties of 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine?

2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine has a molecular weight of 463.62 g/mol, XLogP of 9.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine is sourced from PubChem (CID 66594001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 66594001 — identifiers, structure, computed properties (public domain)

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