(3,3-dimethylspiro[1H-indole-2,2'-chromene]-6'-yl)-(4-fluorophenyl)methanone

C25H20FNO2 — CID 165164632

IUPAC(3,3-dimethylspiro[1H-indole-2,2'-chromene]-6'-yl)-(4-fluorophenyl)methanone
SMILESCC1(C)c2ccccc2NC12C=Cc1cc(C(=O)c3ccc(F)cc3)ccc1O2
InChIInChI=1S/C25H20FNO2/c1-24(2)20-5-3-4-6-21(20)27-25(24)14-13-17-15-18(9-12-22(17)29-25)23(28)16-7-10-19(26)11-8-16/h3-15,27H,1-2H3
InChIKeyVSOSMJMKEYTGFX-UHFFFAOYSA-N
MW385.44 g/mol
LogP5.56
Rot. Bonds2

About (3,3-dimethylspiro[1H-indole-2,2'-chromene]-6'-yl)-(4-fluorophenyl)methanone

(3,3-dimethylspiro[1H-indole-2,2'-chromene]-6'-yl)-(4-fluorophenyl)methanone (PubChem CID 165164632) has the molecular formula C25H20FNO2 and a molecular weight of 385.44 g/mol. Its IUPAC name is (3,3-dimethylspiro[1H-indole-2,2'-chromene]-6'-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(3,3-dimethylspiro[1H-indole-2,2'-chromene]-6'-yl)-(4-fluorophenyl)methanone
PubChem CID165164632
Molecular FormulaC25H20FNO2
Molecular Weight385.44 g/mol
Exact Mass385.15
IUPAC Name(3,3-dimethylspiro[1H-indole-2,2'-chromene]-6'-yl)-(4-fluorophenyl)methanone
SMILESCC1(C)c2ccccc2NC12C=Cc1cc(C(=O)c3ccc(F)cc3)ccc1O2
InChIInChI=1S/C25H20FNO2/c1-24(2)20-5-3-4-6-21(20)27-25(24)14-13-17-15-18(9-12-22(17)29-25)23(28)16-7-10-19(26)11-8-16/h3-15,27H,1-2H3
InChIKeyVSOSMJMKEYTGFX-UHFFFAOYSA-N
XLogP5.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.44
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylspiro[1H-indole-2,2'-chromene]-6'-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (3,3-dimethylspiro[1H-indole-2,2'-chromene]-6'-yl)-(4-fluorophenyl)methanone (CID 165164632) is (3,3-dimethylspiro[1H-indole-2,2'-chromene]-6'-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (3,3-dimethylspiro[1H-indole-2,2'-chromene]-6'-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (3,3-dimethylspiro[1H-indole-2,2'-chromene]-6'-yl)-(4-fluorophenyl)methanone is CC1(C)c2ccccc2NC12C=Cc1cc(C(=O)c3ccc(F)cc3)ccc1O2.
What is the InChIKey of (3,3-dimethylspiro[1H-indole-2,2'-chromene]-6'-yl)-(4-fluorophenyl)methanone?
The InChIKey is VSOSMJMKEYTGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FNO2/c1-24(2)20-5-3-4-6-21(20)27-25(24)14-13-17-15-18(9-12-22(17)29-25)23(28)16-7-10-19(26)11-8-16/h3-15,27H,1-2H3.
What are the key properties of (3,3-dimethylspiro[1H-indole-2,2'-chromene]-6'-yl)-(4-fluorophenyl)methanone?
(3,3-dimethylspiro[1H-indole-2,2'-chromene]-6'-yl)-(4-fluorophenyl)methanone has a molecular weight of 385.44 g/mol, XLogP of 5.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylspiro[1H-indole-2,2'-chromene]-6'-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 165164632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).