3-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)pyridine

C25H20N2 — CID 58583910

IUPAC3-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)pyridine
SMILESCC1(C)c2cc(-c3cccnc3)ccc2-c2ccc(-c3cccnc3)cc21
InChIInChI=1S/C25H20N2/c1-25(2)23-13-17(19-5-3-11-26-15-19)7-9-21(23)22-10-8-18(14-24(22)25)20-6-4-12-27-16-20/h3-16H,1-2H3
InChIKeyFXQWQEDSGWAVCK-UHFFFAOYSA-N
MW348.45 g/mol
LogP6.12
Rot. Bonds2

About 3-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)pyridine

3-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)pyridine (PubChem CID 58583910) has the molecular formula C25H20N2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)pyridine.

Molecular Properties

Compound Name3-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)pyridine
PubChem CID58583910
Molecular FormulaC25H20N2
Molecular Weight348.45 g/mol
Exact Mass348.16
IUPAC Name3-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)pyridine
SMILESCC1(C)c2cc(-c3cccnc3)ccc2-c2ccc(-c3cccnc3)cc21
InChIInChI=1S/C25H20N2/c1-25(2)23-13-17(19-5-3-11-26-15-19)7-9-21(23)22-10-8-18(14-24(22)25)20-6-4-12-27-16-20/h3-16H,1-2H3
InChIKeyFXQWQEDSGWAVCK-UHFFFAOYSA-N
XLogP6.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)pyridine?
The IUPAC name of 3-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)pyridine (CID 58583910) is 3-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)pyridine.
What is the SMILES notation for 3-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)pyridine?
The canonical SMILES for 3-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)pyridine is CC1(C)c2cc(-c3cccnc3)ccc2-c2ccc(-c3cccnc3)cc21.
What is the InChIKey of 3-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)pyridine?
The InChIKey is FXQWQEDSGWAVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2/c1-25(2)23-13-17(19-5-3-11-26-15-19)7-9-21(23)22-10-8-18(14-24(22)25)20-6-4-12-27-16-20/h3-16H,1-2H3.
What are the key properties of 3-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)pyridine?
3-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)pyridine has a molecular weight of 348.45 g/mol, XLogP of 6.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)pyridine is sourced from PubChem (CID 58583910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).