9,9-dimethyl-4-[4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene

C26H24 — CID 153369615

IUPAC9,9-dimethyl-4-[4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene
SMILESC=C(/C=C\C)c1ccc(-c2cccc3c2-c2ccccc2C3(C)C)cc1
InChIInChI=1S/C26H24/c1-5-9-18(2)19-14-16-20(17-15-19)21-11-8-13-24-25(21)22-10-6-7-12-23(22)26(24,3)4/h5-17H,2H2,1,3-4H3/b9-5-
InChIKeyKQFDJAWTKFILCT-UITAMQMPSA-N
MW336.48 g/mol
LogP7.25
Rot. Bonds3

About 9,9-dimethyl-4-[4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene

9,9-dimethyl-4-[4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene (PubChem CID 153369615) has the molecular formula C26H24 and a molecular weight of 336.48 g/mol. Its IUPAC name is 9,9-dimethyl-4-[4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene.

Molecular Properties

Compound Name9,9-dimethyl-4-[4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene
PubChem CID153369615
Molecular FormulaC26H24
Molecular Weight336.48 g/mol
Exact Mass336.19
IUPAC Name9,9-dimethyl-4-[4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene
SMILESC=C(/C=C\C)c1ccc(-c2cccc3c2-c2ccccc2C3(C)C)cc1
InChIInChI=1S/C26H24/c1-5-9-18(2)19-14-16-20(17-15-19)21-11-8-13-24-25(21)22-10-6-7-12-23(22)26(24,3)4/h5-17H,2H2,1,3-4H3/b9-5-
InChIKeyKQFDJAWTKFILCT-UITAMQMPSA-N
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-(4-buta-1,3-dien-2-ylphenyl)-9,9-dimethylfluorene
CID 153369240
9,9-dimethyl-2-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene
CID 153369031
4-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58986993
9,9-dimethyl-4-phenylfluorene;ethane
CID 144938731
9,9-dimethyl-1-[2-(3-methyl-5-phenylphenyl)-4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene
CID 153368874
4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-methyl-4-(4-phenylphenyl)aniline
CID 154957513
2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 175619642
2-phenyl-4-(4-phenylphenyl)-6-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]-1,3,5-triazine
CID 166901559
9,9-dimethyl-4-(3-methylphenyl)fluorene
CID 59182848
2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine
CID 126543875
7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-ol
CID 118146061

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-4-[4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene?
The IUPAC name of 9,9-dimethyl-4-[4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene (CID 153369615) is 9,9-dimethyl-4-[4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene.
What is the SMILES notation for 9,9-dimethyl-4-[4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene?
The canonical SMILES for 9,9-dimethyl-4-[4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene is C=C(/C=C\C)c1ccc(-c2cccc3c2-c2ccccc2C3(C)C)cc1.
What is the InChIKey of 9,9-dimethyl-4-[4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene?
The InChIKey is KQFDJAWTKFILCT-UITAMQMPSA-N. The full InChI is InChI=1S/C26H24/c1-5-9-18(2)19-14-16-20(17-15-19)21-11-8-13-24-25(21)22-10-6-7-12-23(22)26(24,3)4/h5-17H,2H2,1,3-4H3/b9-5-.
What are the key properties of 9,9-dimethyl-4-[4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene?
9,9-dimethyl-4-[4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene has a molecular weight of 336.48 g/mol, XLogP of 7.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-4-[4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene is sourced from PubChem (CID 153369615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).