1-(2,2,2-triphenylethyl)-9H-fluorene

C33H26 — CID 151369525

IUPAC1-(2,2,2-triphenylethyl)-9H-fluorene
SMILESc1ccc(C(Cc2cccc3c2Cc2ccccc2-3)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H26/c1-4-15-27(16-5-1)33(28-17-6-2-7-18-28,29-19-8-3-9-20-29)24-26-14-12-22-31-30-21-11-10-13-25(30)23-32(26)31/h1-22H,23-24H2
InChIKeyOQDFXKFBTVHPKR-UHFFFAOYSA-N
MW422.57 g/mol
LogP7.83
Rot. Bonds5

About 1-(2,2,2-triphenylethyl)-9H-fluorene

1-(2,2,2-triphenylethyl)-9H-fluorene (PubChem CID 151369525) has the molecular formula C33H26 and a molecular weight of 422.57 g/mol. Its IUPAC name is 1-(2,2,2-triphenylethyl)-9H-fluorene.

Molecular Properties

Compound Name1-(2,2,2-triphenylethyl)-9H-fluorene
PubChem CID151369525
Molecular FormulaC33H26
Molecular Weight422.57 g/mol
Exact Mass422.20
IUPAC Name1-(2,2,2-triphenylethyl)-9H-fluorene
SMILESc1ccc(C(Cc2cccc3c2Cc2ccccc2-3)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H26/c1-4-15-27(16-5-1)33(28-17-6-2-7-18-28,29-19-8-3-9-20-29)24-26-14-12-22-31-30-21-11-10-13-25(30)23-32(26)31/h1-22H,23-24H2
InChIKeyOQDFXKFBTVHPKR-UHFFFAOYSA-N
XLogP7.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

ethane;1-ethyl-9H-fluorene;propane
CID 167686584
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
bis(1-ethyl-9H-fluorene);pyridine
CID 158763322
1-[9H-fluoren-1-yl(diphenyl)methyl]-9H-fluorene
CID 141254702
1-(2-methylpropyl)-9H-fluorene
CID 87557268
1-ethyl-9H-fluorene;prop-2-enoic acid
CID 175512160
2-(9H-fluoren-1-yl)acetamide
CID 22939017
1-(4,4,4-trifluorobutyl)-9H-fluorene
CID 157441303
S-ethyl 2-(9H-fluoren-1-yl)ethanethioate
CID 172829129
butane;9H-fluorene;1-hexyl-9H-fluorene;zirconium
CID 173317551
1-N,1-N,1-N',1-N'-tetraethyl-2-(9H-fluoren-1-yl)ethane-1,1-diamine;hydrochloride
CID 141106143
13-(9H-fluoren-1-yl)tridecanoic acid
CID 175383257

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-triphenylethyl)-9H-fluorene?
The IUPAC name of 1-(2,2,2-triphenylethyl)-9H-fluorene (CID 151369525) is 1-(2,2,2-triphenylethyl)-9H-fluorene.
What is the SMILES notation for 1-(2,2,2-triphenylethyl)-9H-fluorene?
The canonical SMILES for 1-(2,2,2-triphenylethyl)-9H-fluorene is c1ccc(C(Cc2cccc3c2Cc2ccccc2-3)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-(2,2,2-triphenylethyl)-9H-fluorene?
The InChIKey is OQDFXKFBTVHPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26/c1-4-15-27(16-5-1)33(28-17-6-2-7-18-28,29-19-8-3-9-20-29)24-26-14-12-22-31-30-21-11-10-13-25(30)23-32(26)31/h1-22H,23-24H2.
What are the key properties of 1-(2,2,2-triphenylethyl)-9H-fluorene?
1-(2,2,2-triphenylethyl)-9H-fluorene has a molecular weight of 422.57 g/mol, XLogP of 7.83, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-triphenylethyl)-9H-fluorene is sourced from PubChem (CID 151369525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).