2,9,9-trimethyl-7-[(E)-prop-1-enyl]fluorene

C19H20 — CID 20593657

IUPAC2,9,9-trimethyl-7-[(E)-prop-1-enyl]fluorene
SMILESC/C=C/c1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2
InChIInChI=1S/C19H20/c1-5-6-14-8-10-16-15-9-7-13(2)11-17(15)19(3,4)18(16)12-14/h5-12H,1-4H3/b6-5+
InChIKeyRIXJASRLSXRPTD-AATRIKPKSA-N
MW248.37 g/mol
LogP5.33
Rot. Bonds1

About 2,9,9-trimethyl-7-[(E)-prop-1-enyl]fluorene

2,9,9-trimethyl-7-[(E)-prop-1-enyl]fluorene (PubChem CID 20593657) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2,9,9-trimethyl-7-[(E)-prop-1-enyl]fluorene.

Molecular Properties

Compound Name2,9,9-trimethyl-7-[(E)-prop-1-enyl]fluorene
PubChem CID20593657
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name2,9,9-trimethyl-7-[(E)-prop-1-enyl]fluorene
SMILESC/C=C/c1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2
InChIInChI=1S/C19H20/c1-5-6-14-8-10-16-15-9-7-13(2)11-17(15)19(3,4)18(16)12-14/h5-12H,1-4H3/b6-5+
InChIKeyRIXJASRLSXRPTD-AATRIKPKSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,7,9,9-tetramethylfluorene
CID 22951928
2-methyl-9,9-dioctyl-7-[(E)-prop-1-enyl]fluorene
CID 59348469
2,6,9,9-tetramethylfluorene
CID 23527438
7-[(E)-2-[9,9-dimethyl-7-(N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89074728
N-(3,5-dimethylphenyl)-7-[(E)-2-[4-[(E)-2-[7-(N-(3,5-dimethylphenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine
CID 59246124
ethane;methane;2,9,9-trimethylfluorene
CID 144920604
N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[4-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-amine
CID 59246175
7-[2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 90878487
7-[(E)-2-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine
CID 89074664
2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene
CID 58943521
2-ethyl-7,9,9-trimethylfluorene
CID 59167125
4-[10-(4-formylphenyl)-2,7,9,10-tetramethylphenanthren-9-yl]benzaldehyde
CID 58544515

Frequently Asked Questions

What is the IUPAC name of 2,9,9-trimethyl-7-[(E)-prop-1-enyl]fluorene?
The IUPAC name of 2,9,9-trimethyl-7-[(E)-prop-1-enyl]fluorene (CID 20593657) is 2,9,9-trimethyl-7-[(E)-prop-1-enyl]fluorene.
What is the SMILES notation for 2,9,9-trimethyl-7-[(E)-prop-1-enyl]fluorene?
The canonical SMILES for 2,9,9-trimethyl-7-[(E)-prop-1-enyl]fluorene is C/C=C/c1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.
What is the InChIKey of 2,9,9-trimethyl-7-[(E)-prop-1-enyl]fluorene?
The InChIKey is RIXJASRLSXRPTD-AATRIKPKSA-N. The full InChI is InChI=1S/C19H20/c1-5-6-14-8-10-16-15-9-7-13(2)11-17(15)19(3,4)18(16)12-14/h5-12H,1-4H3/b6-5+.
What are the key properties of 2,9,9-trimethyl-7-[(E)-prop-1-enyl]fluorene?
2,9,9-trimethyl-7-[(E)-prop-1-enyl]fluorene has a molecular weight of 248.37 g/mol, XLogP of 5.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9,9-trimethyl-7-[(E)-prop-1-enyl]fluorene is sourced from PubChem (CID 20593657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).