9,9-dimethyl-1-naphthalen-1-ylfluorene

C25H20 — CID 144938636

IUPAC9,9-dimethyl-1-naphthalen-1-ylfluorene
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc4ccccc34)c21
InChIInChI=1S/C25H20/c1-25(2)23-16-6-5-12-20(23)22-15-8-14-21(24(22)25)19-13-7-10-17-9-3-4-11-18(17)19/h3-16H,1-2H3
InChIKeyWJOCWLHODKSXPF-UHFFFAOYSA-N
MW320.44 g/mol
LogP6.81
Rot. Bonds1

About 9,9-dimethyl-1-naphthalen-1-ylfluorene

9,9-dimethyl-1-naphthalen-1-ylfluorene (PubChem CID 144938636) has the molecular formula C25H20 and a molecular weight of 320.44 g/mol. Its IUPAC name is 9,9-dimethyl-1-naphthalen-1-ylfluorene.

Molecular Properties

Compound Name9,9-dimethyl-1-naphthalen-1-ylfluorene
PubChem CID144938636
Molecular FormulaC25H20
Molecular Weight320.44 g/mol
Exact Mass320.16
IUPAC Name9,9-dimethyl-1-naphthalen-1-ylfluorene
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc4ccccc34)c21
InChIInChI=1S/C25H20/c1-25(2)23-16-6-5-12-20(23)22-15-8-14-21(24(22)25)19-13-7-10-17-9-3-4-11-18(17)19/h3-16H,1-2H3
InChIKeyWJOCWLHODKSXPF-UHFFFAOYSA-N
XLogP6.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.44
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-1-naphthalen-1-ylfluorene?
The IUPAC name of 9,9-dimethyl-1-naphthalen-1-ylfluorene (CID 144938636) is 9,9-dimethyl-1-naphthalen-1-ylfluorene.
What is the SMILES notation for 9,9-dimethyl-1-naphthalen-1-ylfluorene?
The canonical SMILES for 9,9-dimethyl-1-naphthalen-1-ylfluorene is CC1(C)c2ccccc2-c2cccc(-c3cccc4ccccc34)c21.
What is the InChIKey of 9,9-dimethyl-1-naphthalen-1-ylfluorene?
The InChIKey is WJOCWLHODKSXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20/c1-25(2)23-16-6-5-12-20(23)22-15-8-14-21(24(22)25)19-13-7-10-17-9-3-4-11-18(17)19/h3-16H,1-2H3.
What are the key properties of 9,9-dimethyl-1-naphthalen-1-ylfluorene?
9,9-dimethyl-1-naphthalen-1-ylfluorene has a molecular weight of 320.44 g/mol, XLogP of 6.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-1-naphthalen-1-ylfluorene is sourced from PubChem (CID 144938636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).