1-(3-fluorophenyl)-4,4-dimethyl-2,2-diphenylcyclopenta[a]indene

C32H25F — CID 101488376

IUPAC1-(3-fluorophenyl)-4,4-dimethyl-2,2-diphenylcyclopenta[a]indene
SMILESCC1(C)C2=CC(c3ccccc3)(c3ccccc3)C(c3cccc(F)c3)=C2c2ccccc21
InChIInChI=1S/C32H25F/c1-31(2)27-19-10-9-18-26(27)29-28(31)21-32(23-13-5-3-6-14-23,24-15-7-4-8-16-24)30(29)22-12-11-17-25(33)20-22/h3-21H,1-2H3
InChIKeyLAUNHAGWCAFSCB-UHFFFAOYSA-N
MW428.55 g/mol
LogP7.95
Rot. Bonds3

About 1-(3-fluorophenyl)-4,4-dimethyl-2,2-diphenylcyclopenta[a]indene

1-(3-fluorophenyl)-4,4-dimethyl-2,2-diphenylcyclopenta[a]indene (PubChem CID 101488376) has the molecular formula C32H25F and a molecular weight of 428.55 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4,4-dimethyl-2,2-diphenylcyclopenta[a]indene.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4,4-dimethyl-2,2-diphenylcyclopenta[a]indene
PubChem CID101488376
Molecular FormulaC32H25F
Molecular Weight428.55 g/mol
Exact Mass428.19
IUPAC Name1-(3-fluorophenyl)-4,4-dimethyl-2,2-diphenylcyclopenta[a]indene
SMILESCC1(C)C2=CC(c3ccccc3)(c3ccccc3)C(c3cccc(F)c3)=C2c2ccccc21
InChIInChI=1S/C32H25F/c1-31(2)27-19-10-9-18-26(27)29-28(31)21-32(23-13-5-3-6-14-23,24-15-7-4-8-16-24)30(29)22-12-11-17-25(33)20-22/h3-21H,1-2H3
InChIKeyLAUNHAGWCAFSCB-UHFFFAOYSA-N
XLogP7.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.55
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4,4-dimethyl-2,2-diphenylcyclopenta[a]indene?
The IUPAC name of 1-(3-fluorophenyl)-4,4-dimethyl-2,2-diphenylcyclopenta[a]indene (CID 101488376) is 1-(3-fluorophenyl)-4,4-dimethyl-2,2-diphenylcyclopenta[a]indene.
What is the SMILES notation for 1-(3-fluorophenyl)-4,4-dimethyl-2,2-diphenylcyclopenta[a]indene?
The canonical SMILES for 1-(3-fluorophenyl)-4,4-dimethyl-2,2-diphenylcyclopenta[a]indene is CC1(C)C2=CC(c3ccccc3)(c3ccccc3)C(c3cccc(F)c3)=C2c2ccccc21.
What is the InChIKey of 1-(3-fluorophenyl)-4,4-dimethyl-2,2-diphenylcyclopenta[a]indene?
The InChIKey is LAUNHAGWCAFSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25F/c1-31(2)27-19-10-9-18-26(27)29-28(31)21-32(23-13-5-3-6-14-23,24-15-7-4-8-16-24)30(29)22-12-11-17-25(33)20-22/h3-21H,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-4,4-dimethyl-2,2-diphenylcyclopenta[a]indene?
1-(3-fluorophenyl)-4,4-dimethyl-2,2-diphenylcyclopenta[a]indene has a molecular weight of 428.55 g/mol, XLogP of 7.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-4,4-dimethyl-2,2-diphenylcyclopenta[a]indene is sourced from PubChem (CID 101488376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).