9,9-dimethylfluorene;ethane;quinoline

C26H27N — CID 159714824

IUPAC9,9-dimethylfluorene;ethane;quinoline
SMILESCC.CC1(C)c2ccccc2-c2ccccc21.c1ccc2ncccc2c1
InChIInChI=1S/C15H14.C9H7N.C2H6/c1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-2-6-9-8(4-1)5-3-7-10-9;1-2/h3-10H,1-2H3;1-7H;1-2H3
InChIKeyMZHIKZFCYFHLOD-UHFFFAOYSA-N
MW353.51 g/mol
LogP7.25
Rot. Bonds

About 9,9-dimethylfluorene;ethane;quinoline

9,9-dimethylfluorene;ethane;quinoline (PubChem CID 159714824) has the molecular formula C26H27N and a molecular weight of 353.51 g/mol. Its IUPAC name is 9,9-dimethylfluorene;ethane;quinoline.

Molecular Properties

Compound Name9,9-dimethylfluorene;ethane;quinoline
PubChem CID159714824
Molecular FormulaC26H27N
Molecular Weight353.51 g/mol
Exact Mass353.21
IUPAC Name9,9-dimethylfluorene;ethane;quinoline
SMILESCC.CC1(C)c2ccccc2-c2ccccc21.c1ccc2ncccc2c1
InChIInChI=1S/C15H14.C9H7N.C2H6/c1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-2-6-9-8(4-1)5-3-7-10-9;1-2/h3-10H,1-2H3;1-7H;1-2H3
InChIKeyMZHIKZFCYFHLOD-UHFFFAOYSA-N
XLogP7.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 50910245
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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethylfluorene;ethane;quinoline?
The IUPAC name of 9,9-dimethylfluorene;ethane;quinoline (CID 159714824) is 9,9-dimethylfluorene;ethane;quinoline.
What is the SMILES notation for 9,9-dimethylfluorene;ethane;quinoline?
The canonical SMILES for 9,9-dimethylfluorene;ethane;quinoline is CC.CC1(C)c2ccccc2-c2ccccc21.c1ccc2ncccc2c1.
What is the InChIKey of 9,9-dimethylfluorene;ethane;quinoline?
The InChIKey is MZHIKZFCYFHLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14.C9H7N.C2H6/c1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-2-6-9-8(4-1)5-3-7-10-9;1-2/h3-10H,1-2H3;1-7H;1-2H3.
What are the key properties of 9,9-dimethylfluorene;ethane;quinoline?
9,9-dimethylfluorene;ethane;quinoline has a molecular weight of 353.51 g/mol, XLogP of 7.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethylfluorene;ethane;quinoline is sourced from PubChem (CID 159714824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).