2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine

C32H25N — CID 153423472

IUPAC2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(-c4cccc(-c5ccccn5)c4)c3)ccc21
InChIInChI=1S/C32H25N/c1-32(2)29-14-4-3-13-27(29)28-21-25(16-17-30(28)32)23-10-7-9-22(19-23)24-11-8-12-26(20-24)31-15-5-6-18-33-31/h3-21H,1-2H3
InChIKeyWUUMNYSQQDMNKS-UHFFFAOYSA-N
MW423.56 g/mol
LogP8.39
Rot. Bonds3

About 2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine

2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine (PubChem CID 153423472) has the molecular formula C32H25N and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine
PubChem CID153423472
Molecular FormulaC32H25N
Molecular Weight423.56 g/mol
Exact Mass423.20
IUPAC Name2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(-c4cccc(-c5ccccn5)c4)c3)ccc21
InChIInChI=1S/C32H25N/c1-32(2)29-14-4-3-13-27(29)28-21-25(16-17-30(28)32)23-10-7-9-22(19-23)24-11-8-12-26(20-24)31-15-5-6-18-33-31/h3-21H,1-2H3
InChIKeyWUUMNYSQQDMNKS-UHFFFAOYSA-N
XLogP8.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine?
The IUPAC name of 2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine (CID 153423472) is 2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine.
What is the SMILES notation for 2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine?
The canonical SMILES for 2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine is CC1(C)c2ccccc2-c2cc(-c3cccc(-c4cccc(-c5ccccn5)c4)c3)ccc21.
What is the InChIKey of 2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine?
The InChIKey is WUUMNYSQQDMNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N/c1-32(2)29-14-4-3-13-27(29)28-21-25(16-17-30(28)32)23-10-7-9-22(19-23)24-11-8-12-26(20-24)31-15-5-6-18-33-31/h3-21H,1-2H3.
What are the key properties of 2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine?
2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine has a molecular weight of 423.56 g/mol, XLogP of 8.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine is sourced from PubChem (CID 153423472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).