2-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyridine

C30H23N — CID 175358146

IUPAC2-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5ccccc5c4)n3)cc21
InChIInChI=1S/C30H23N/c1-30(2)26-11-6-5-10-24(26)25-17-16-23(19-27(25)30)29-13-7-12-28(31-29)22-15-14-20-8-3-4-9-21(20)18-22/h3-19H,1-2H3
InChIKeyJPNPEIYKAHFXNX-UHFFFAOYSA-N
MW397.52 g/mol
LogP7.88
Rot. Bonds2

About 2-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyridine

2-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyridine (PubChem CID 175358146) has the molecular formula C30H23N and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyridine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyridine
PubChem CID175358146
Molecular FormulaC30H23N
Molecular Weight397.52 g/mol
Exact Mass397.18
IUPAC Name2-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5ccccc5c4)n3)cc21
InChIInChI=1S/C30H23N/c1-30(2)26-11-6-5-10-24(26)25-17-16-23(19-27(25)30)29-13-7-12-28(31-29)22-15-14-20-8-3-4-9-21(20)18-22/h3-19H,1-2H3
InChIKeyJPNPEIYKAHFXNX-UHFFFAOYSA-N
XLogP7.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms31
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyridine?
The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyridine (CID 175358146) is 2-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyridine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyridine?
The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyridine is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5ccccc5c4)n3)cc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyridine?
The InChIKey is JPNPEIYKAHFXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N/c1-30(2)26-11-6-5-10-24(26)25-17-16-23(19-27(25)30)29-13-7-12-28(31-29)22-15-14-20-8-3-4-9-21(20)18-22/h3-19H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyridine?
2-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyridine has a molecular weight of 397.52 g/mol, XLogP of 7.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyridine is sourced from PubChem (CID 175358146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).