2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine

C32H25N — CID 153423317

IUPAC2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cccc(-c5ccccn5)c4)cc3)cc21
InChIInChI=1S/C32H25N/c1-32(2)29-11-4-3-10-27(29)28-18-17-25(21-30(28)32)23-15-13-22(14-16-23)24-8-7-9-26(20-24)31-12-5-6-19-33-31/h3-21H,1-2H3
InChIKeyXHNCLUCNSKVXPN-UHFFFAOYSA-N
MW423.56 g/mol
LogP8.39
Rot. Bonds3

About 2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine

2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine (PubChem CID 153423317) has the molecular formula C32H25N and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine
PubChem CID153423317
Molecular FormulaC32H25N
Molecular Weight423.56 g/mol
Exact Mass423.20
IUPAC Name2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cccc(-c5ccccn5)c4)cc3)cc21
InChIInChI=1S/C32H25N/c1-32(2)29-11-4-3-10-27(29)28-18-17-25(21-30(28)32)23-15-13-22(14-16-23)24-8-7-9-26(20-24)31-12-5-6-19-33-31/h3-21H,1-2H3
InChIKeyXHNCLUCNSKVXPN-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-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine?
The IUPAC name of 2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine (CID 153423317) is 2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine.
What is the SMILES notation for 2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine?
The canonical SMILES for 2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cccc(-c5ccccn5)c4)cc3)cc21.
What is the InChIKey of 2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine?
The InChIKey is XHNCLUCNSKVXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N/c1-32(2)29-11-4-3-10-27(29)28-18-17-25(21-30(28)32)23-15-13-22(14-16-23)24-8-7-9-26(20-24)31-12-5-6-19-33-31/h3-21H,1-2H3.
What are the key properties of 2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine?
2-[3-[4-(9,9-dimethylfluoren-2-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-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine is sourced from PubChem (CID 153423317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).