2'-fluoro-N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine

C43H28FNS — CID 166844482

IUPAC2'-fluoro-N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine
SMILESFc1ccc2c(c1)C1(c3ccccc3S2)c2ccccc2-c2cc(N(c3ccccc3)c3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C43H28FNS/c44-30-23-26-42-39(27-30)43(38-20-10-12-22-41(38)46-42)36-19-9-7-18-34(36)35-28-32(24-25-37(35)43)45(31-15-5-2-6-16-31)40-21-11-8-17-33(40)29-13-3-1-4-14-29/h1-28H
InChIKeyUZLXVUZUZQREJG-UHFFFAOYSA-N
MW609.77 g/mol
LogP11.79
Rot. Bonds4

About 2'-fluoro-N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine

2'-fluoro-N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine (PubChem CID 166844482) has the molecular formula C43H28FNS and a molecular weight of 609.77 g/mol. Its IUPAC name is 2'-fluoro-N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine.

Molecular Properties

Compound Name2'-fluoro-N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine
PubChem CID166844482
Molecular FormulaC43H28FNS
Molecular Weight609.77 g/mol
Exact Mass609.19
IUPAC Name2'-fluoro-N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine
SMILESFc1ccc2c(c1)C1(c3ccccc3S2)c2ccccc2-c2cc(N(c3ccccc3)c3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C43H28FNS/c44-30-23-26-42-39(27-30)43(38-20-10-12-22-41(38)46-42)36-19-9-7-18-34(36)35-28-32(24-25-37(35)43)45(31-15-5-2-6-16-31)40-21-11-8-17-33(40)29-13-3-1-4-14-29/h1-28H
InChIKeyUZLXVUZUZQREJG-UHFFFAOYSA-N
XLogP11.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.77
LogP ≤ 511.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2'-fluoro-N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine?
The IUPAC name of 2'-fluoro-N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine (CID 166844482) is 2'-fluoro-N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine.
What is the SMILES notation for 2'-fluoro-N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine?
The canonical SMILES for 2'-fluoro-N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine is Fc1ccc2c(c1)C1(c3ccccc3S2)c2ccccc2-c2cc(N(c3ccccc3)c3ccccc3-c3ccccc3)ccc21.
What is the InChIKey of 2'-fluoro-N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine?
The InChIKey is UZLXVUZUZQREJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28FNS/c44-30-23-26-42-39(27-30)43(38-20-10-12-22-41(38)46-42)36-19-9-7-18-34(36)35-28-32(24-25-37(35)43)45(31-15-5-2-6-16-31)40-21-11-8-17-33(40)29-13-3-1-4-14-29/h1-28H.
What are the key properties of 2'-fluoro-N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine?
2'-fluoro-N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine has a molecular weight of 609.77 g/mol, XLogP of 11.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-fluoro-N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine is sourced from PubChem (CID 166844482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).