4,9,9-trimethyl-1-phenyl-3,4-dihydrofluorene;hydroiodide

C22H23I — CID 164529221

IUPAC4,9,9-trimethyl-1-phenyl-3,4-dihydrofluorene;hydroiodide
SMILESCC1CC=C(c2ccccc2)C2=C1c1ccccc1C2(C)C.I
InChIInChI=1S/C22H22.HI/c1-15-13-14-17(16-9-5-4-6-10-16)21-20(15)18-11-7-8-12-19(18)22(21,2)3;/h4-12,14-15H,13H2,1-3H3;1H
InChIKeyUXNWUCJXPIAGDM-UHFFFAOYSA-N
MW414.33 g/mol
LogP6.47
Rot. Bonds1

About 4,9,9-trimethyl-1-phenyl-3,4-dihydrofluorene;hydroiodide

4,9,9-trimethyl-1-phenyl-3,4-dihydrofluorene;hydroiodide (PubChem CID 164529221) has the molecular formula C22H23I and a molecular weight of 414.33 g/mol. Its IUPAC name is 4,9,9-trimethyl-1-phenyl-3,4-dihydrofluorene;hydroiodide.

Molecular Properties

Compound Name4,9,9-trimethyl-1-phenyl-3,4-dihydrofluorene;hydroiodide
PubChem CID164529221
Molecular FormulaC22H23I
Molecular Weight414.33 g/mol
Exact Mass414.08
IUPAC Name4,9,9-trimethyl-1-phenyl-3,4-dihydrofluorene;hydroiodide
SMILESCC1CC=C(c2ccccc2)C2=C1c1ccccc1C2(C)C.I
InChIInChI=1S/C22H22.HI/c1-15-13-14-17(16-9-5-4-6-10-16)21-20(15)18-11-7-8-12-19(18)22(21,2)3;/h4-12,14-15H,13H2,1-3H3;1H
InChIKeyUXNWUCJXPIAGDM-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.33
LogP ≤ 56.47
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

4,9,9-trimethyl-3,4-dihydrofluorene;dihydroiodide
CID 142541086
9,9-dimethyl-1-phenylfluorene;methane
CID 142541097
9,9-dimethyl-4-phenylfluorene;ethane
CID 144938731
9,9-dimethyl-2,3-dihydrofluorene
CID 123727902
(4-methylcyclobuten-1-yl)benzene
CID 173414108
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
7,7,12,12-tetramethyl-6-(10-phenylanthracen-9-yl)indeno[1,2-c]fluorene
CID 158811185
3-(4-chlorophenyl)-1,1-dimethyl-2-phenylindene
CID 135024717
1,9,9-trimethyl-1,2-dihydrofluorene
CID 142481302
anthracene;benzene;1,1'-biphenyl;hexakis(9,9-dimethylfluorene);ethane;naphthalene;toluene
CID 161069048
5,5,19,19-tetramethyl-2,16-diphenylheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaene
CID 58142415
6,6,12,12-tetramethyl-5-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b]fluorene
CID 159679931

Frequently Asked Questions

What is the IUPAC name of 4,9,9-trimethyl-1-phenyl-3,4-dihydrofluorene;hydroiodide?
The IUPAC name of 4,9,9-trimethyl-1-phenyl-3,4-dihydrofluorene;hydroiodide (CID 164529221) is 4,9,9-trimethyl-1-phenyl-3,4-dihydrofluorene;hydroiodide.
What is the SMILES notation for 4,9,9-trimethyl-1-phenyl-3,4-dihydrofluorene;hydroiodide?
The canonical SMILES for 4,9,9-trimethyl-1-phenyl-3,4-dihydrofluorene;hydroiodide is CC1CC=C(c2ccccc2)C2=C1c1ccccc1C2(C)C.I.
What is the InChIKey of 4,9,9-trimethyl-1-phenyl-3,4-dihydrofluorene;hydroiodide?
The InChIKey is UXNWUCJXPIAGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22.HI/c1-15-13-14-17(16-9-5-4-6-10-16)21-20(15)18-11-7-8-12-19(18)22(21,2)3;/h4-12,14-15H,13H2,1-3H3;1H.
What are the key properties of 4,9,9-trimethyl-1-phenyl-3,4-dihydrofluorene;hydroiodide?
4,9,9-trimethyl-1-phenyl-3,4-dihydrofluorene;hydroiodide has a molecular weight of 414.33 g/mol, XLogP of 6.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9,9-trimethyl-1-phenyl-3,4-dihydrofluorene;hydroiodide is sourced from PubChem (CID 164529221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).