5-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one

C22H14FNO — CID 172635584

IUPAC5-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one
SMILESO=C1c2ccc(F)cc2CC12C(c1ccccc1)=Nc1ccccc12
InChIInChI=1S/C22H14FNO/c23-16-10-11-17-15(12-16)13-22(21(17)25)18-8-4-5-9-19(18)24-20(22)14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyHHAKBVAUZRRAFN-UHFFFAOYSA-N
MW327.36 g/mol
LogP4.64
Rot. Bonds1

About 5-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one

5-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one (PubChem CID 172635584) has the molecular formula C22H14FNO and a molecular weight of 327.36 g/mol. Its IUPAC name is 5-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one.

Molecular Properties

Compound Name5-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one
PubChem CID172635584
Molecular FormulaC22H14FNO
Molecular Weight327.36 g/mol
Exact Mass327.11
IUPAC Name5-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one
SMILESO=C1c2ccc(F)cc2CC12C(c1ccccc1)=Nc1ccccc12
InChIInChI=1S/C22H14FNO/c23-16-10-11-17-15(12-16)13-22(21(17)25)18-8-4-5-9-19(18)24-20(22)14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyHHAKBVAUZRRAFN-UHFFFAOYSA-N
XLogP4.64
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one?
The IUPAC name of 5-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one (CID 172635584) is 5-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one.
What is the SMILES notation for 5-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one?
The canonical SMILES for 5-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one is O=C1c2ccc(F)cc2CC12C(c1ccccc1)=Nc1ccccc12.
What is the InChIKey of 5-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one?
The InChIKey is HHAKBVAUZRRAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FNO/c23-16-10-11-17-15(12-16)13-22(21(17)25)18-8-4-5-9-19(18)24-20(22)14-6-2-1-3-7-14/h1-12H,13H2.
What are the key properties of 5-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one?
5-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one has a molecular weight of 327.36 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one is sourced from PubChem (CID 172635584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).