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

C26H24 — CID 153369031

IUPAC9,9-dimethyl-2-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene
SMILESC=C(/C=C\C)c1cccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1
InChIInChI=1S/C26H24/c1-5-9-18(2)19-10-8-11-20(16-19)21-14-15-23-22-12-6-7-13-24(22)26(3,4)25(23)17-21/h5-17H,2H2,1,3-4H3/b9-5-
InChIKeyVXLJTGQLWARZEH-UITAMQMPSA-N
MW336.48 g/mol
LogP7.25
Rot. Bonds3

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

9,9-dimethyl-2-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene (PubChem CID 153369031) has the molecular formula C26H24 and a molecular weight of 336.48 g/mol. Its IUPAC name is 9,9-dimethyl-2-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene.

Molecular Properties

Compound Name9,9-dimethyl-2-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene
PubChem CID153369031
Molecular FormulaC26H24
Molecular Weight336.48 g/mol
Exact Mass336.19
IUPAC Name9,9-dimethyl-2-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene
SMILESC=C(/C=C\C)c1cccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1
InChIInChI=1S/C26H24/c1-5-9-18(2)19-10-8-11-20(16-19)21-14-15-23-22-12-6-7-13-24(22)26(3,4)25(23)17-21/h5-17H,2H2,1,3-4H3/b9-5-
InChIKeyVXLJTGQLWARZEH-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

9,9-dimethyl-2-[3-[3-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]fluorene
CID 142555556
9,9-dimethyl-4-[4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene
CID 153369615
2-[4-[(3Z)-penta-1,3-dien-2-yl]phenyl]-9,9'-spirobi[fluorene]
CID 144925252
2-(9,9-dimethylfluoren-2-yl)-6-[7-[7-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyridine
CID 58881225
2-ethenyl-1,1-dimethyl-5-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]-3-[(Z)-prop-1-enyl]indene;toluene
CID 153369703
9,9-dimethyl-1-[2-(3-methyl-5-phenylphenyl)-4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene
CID 153368874
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
9,9-dimethyl-2-(3-methylphenyl)fluorene;ethane;methane
CID 144583357

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene?
The IUPAC name of 9,9-dimethyl-2-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene (CID 153369031) is 9,9-dimethyl-2-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene.
What is the SMILES notation for 9,9-dimethyl-2-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene?
The canonical SMILES for 9,9-dimethyl-2-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene is C=C(/C=C\C)c1cccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1.
What is the InChIKey of 9,9-dimethyl-2-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene?
The InChIKey is VXLJTGQLWARZEH-UITAMQMPSA-N. The full InChI is InChI=1S/C26H24/c1-5-9-18(2)19-10-8-11-20(16-19)21-14-15-23-22-12-6-7-13-24(22)26(3,4)25(23)17-21/h5-17H,2H2,1,3-4H3/b9-5-.
What are the key properties of 9,9-dimethyl-2-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene?
9,9-dimethyl-2-[3-[(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-2-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene is sourced from PubChem (CID 153369031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).