4,9,9-trimethyl-3,4-dihydrofluorene;dihydroiodide

C16H20I2 — CID 142541086

IUPAC4,9,9-trimethyl-3,4-dihydrofluorene;dihydroiodide
SMILESCC1CC=CC2=C1c1ccccc1C2(C)C.I.I
InChIInChI=1S/C16H18.2HI/c1-11-7-6-10-14-15(11)12-8-4-5-9-13(12)16(14,2)3;;/h4-6,8-11H,7H2,1-3H3;2*1H
InChIKeyYYKBSBCKDGLWGB-UHFFFAOYSA-N
MW466.14 g/mol
LogP5.56
Rot. Bonds

About 4,9,9-trimethyl-3,4-dihydrofluorene;dihydroiodide

4,9,9-trimethyl-3,4-dihydrofluorene;dihydroiodide (PubChem CID 142541086) has the molecular formula C16H20I2 and a molecular weight of 466.14 g/mol. Its IUPAC name is 4,9,9-trimethyl-3,4-dihydrofluorene;dihydroiodide.

Molecular Properties

Compound Name4,9,9-trimethyl-3,4-dihydrofluorene;dihydroiodide
PubChem CID142541086
Molecular FormulaC16H20I2
Molecular Weight466.14 g/mol
Exact Mass465.97
IUPAC Name4,9,9-trimethyl-3,4-dihydrofluorene;dihydroiodide
SMILESCC1CC=CC2=C1c1ccccc1C2(C)C.I.I
InChIInChI=1S/C16H18.2HI/c1-11-7-6-10-14-15(11)12-8-4-5-9-13(12)16(14,2)3;;/h4-6,8-11H,7H2,1-3H3;2*1H
InChIKeyYYKBSBCKDGLWGB-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.14
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4,9'-dimethylspiro[3,4-dihydrofluorene-9,10'-9H-anthracene]
CID 91333541
2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-1-yl-6-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)-1,3,5-triazine
CID 138484674
1,9,9-trimethyl-1,2-dihydrofluorene
CID 142481302
9-[2,3-dimethyl-4-(2-methylphenyl)phenyl]-4-methyl-9-(2-methylphenyl)-3,4-dihydrofluorene
CID 145007140
N-[2-(4-cyclohexylphenyl)-5-propan-2-ylphenyl]-9,9-dimethyl-N-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)fluoren-2-amine
CID 174308990
8-(3,5-dichlorophenyl)-4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]
CID 156896781
4,9,9-trimethyl-1-phenyl-3,4-dihydrofluorene;hydroiodide
CID 164529221
10-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3'-yl)phenoxazine
CID 123828238
9-[(2E,4E)-5-ethenoxyhexa-2,4-dien-2-yl]-9-(4-ethenoxyphenyl)-4-methyl-3,4-dihydrofluorene
CID 145051598
1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene
CID 142215714
4-methyl-5'-phenyl-2'-(9-phenylcarbazol-2-yl)spiro[3,4-dihydrofluorene-9,7'-indeno[2,1-b]carbazole]
CID 144556721
N-[3-[3-[2-(N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-5,9,9-trimethyl-N-(3-phenylnaphthalen-2-yl)-5,6-dihydrofluoren-2-amine
CID 177098631

Frequently Asked Questions

What is the IUPAC name of 4,9,9-trimethyl-3,4-dihydrofluorene;dihydroiodide?
The IUPAC name of 4,9,9-trimethyl-3,4-dihydrofluorene;dihydroiodide (CID 142541086) is 4,9,9-trimethyl-3,4-dihydrofluorene;dihydroiodide.
What is the SMILES notation for 4,9,9-trimethyl-3,4-dihydrofluorene;dihydroiodide?
The canonical SMILES for 4,9,9-trimethyl-3,4-dihydrofluorene;dihydroiodide is CC1CC=CC2=C1c1ccccc1C2(C)C.I.I.
What is the InChIKey of 4,9,9-trimethyl-3,4-dihydrofluorene;dihydroiodide?
The InChIKey is YYKBSBCKDGLWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18.2HI/c1-11-7-6-10-14-15(11)12-8-4-5-9-13(12)16(14,2)3;;/h4-6,8-11H,7H2,1-3H3;2*1H.
What are the key properties of 4,9,9-trimethyl-3,4-dihydrofluorene;dihydroiodide?
4,9,9-trimethyl-3,4-dihydrofluorene;dihydroiodide has a molecular weight of 466.14 g/mol, XLogP of 5.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9,9-trimethyl-3,4-dihydrofluorene;dihydroiodide is sourced from PubChem (CID 142541086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).