2-phenyl-5-(5-spiro[fluorene-9,9'-xanthene]-4'-ylthiophen-2-yl)pyridine

C40H25NOS — CID 130379258

IUPAC2-phenyl-5-(5-spiro[fluorene-9,9'-xanthene]-4'-ylthiophen-2-yl)pyridine
SMILESc1ccc(-c2ccc(-c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)s3)cn2)cc1
InChIInChI=1S/C40H25NOS/c1-2-11-26(12-3-1)35-22-21-27(25-41-35)37-23-24-38(43-37)30-15-10-19-34-39(30)42-36-20-9-8-18-33(36)40(34)31-16-6-4-13-28(31)29-14-5-7-17-32(29)40/h1-25H
InChIKeyTUXWYSBPLDXZFF-UHFFFAOYSA-N
MW567.71 g/mol
LogP10.61
Rot. Bonds3

About 2-phenyl-5-(5-spiro[fluorene-9,9'-xanthene]-4'-ylthiophen-2-yl)pyridine

2-phenyl-5-(5-spiro[fluorene-9,9'-xanthene]-4'-ylthiophen-2-yl)pyridine (PubChem CID 130379258) has the molecular formula C40H25NOS and a molecular weight of 567.71 g/mol. Its IUPAC name is 2-phenyl-5-(5-spiro[fluorene-9,9'-xanthene]-4'-ylthiophen-2-yl)pyridine.

Molecular Properties

Compound Name2-phenyl-5-(5-spiro[fluorene-9,9'-xanthene]-4'-ylthiophen-2-yl)pyridine
PubChem CID130379258
Molecular FormulaC40H25NOS
Molecular Weight567.71 g/mol
Exact Mass567.17
IUPAC Name2-phenyl-5-(5-spiro[fluorene-9,9'-xanthene]-4'-ylthiophen-2-yl)pyridine
SMILESc1ccc(-c2ccc(-c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)s3)cn2)cc1
InChIInChI=1S/C40H25NOS/c1-2-11-26(12-3-1)35-22-21-27(25-41-35)37-23-24-38(43-37)30-15-10-19-34-39(30)42-36-20-9-8-18-33(36)40(34)31-16-6-4-13-28(31)29-14-5-7-17-32(29)40/h1-25H
InChIKeyTUXWYSBPLDXZFF-UHFFFAOYSA-N
XLogP10.61
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.71
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(5-spiro[fluorene-9,9'-xanthene]-4'-ylthiophen-2-yl)pyridine?
The IUPAC name of 2-phenyl-5-(5-spiro[fluorene-9,9'-xanthene]-4'-ylthiophen-2-yl)pyridine (CID 130379258) is 2-phenyl-5-(5-spiro[fluorene-9,9'-xanthene]-4'-ylthiophen-2-yl)pyridine.
What is the SMILES notation for 2-phenyl-5-(5-spiro[fluorene-9,9'-xanthene]-4'-ylthiophen-2-yl)pyridine?
The canonical SMILES for 2-phenyl-5-(5-spiro[fluorene-9,9'-xanthene]-4'-ylthiophen-2-yl)pyridine is c1ccc(-c2ccc(-c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)s3)cn2)cc1.
What is the InChIKey of 2-phenyl-5-(5-spiro[fluorene-9,9'-xanthene]-4'-ylthiophen-2-yl)pyridine?
The InChIKey is TUXWYSBPLDXZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NOS/c1-2-11-26(12-3-1)35-22-21-27(25-41-35)37-23-24-38(43-37)30-15-10-19-34-39(30)42-36-20-9-8-18-33(36)40(34)31-16-6-4-13-28(31)29-14-5-7-17-32(29)40/h1-25H.
What are the key properties of 2-phenyl-5-(5-spiro[fluorene-9,9'-xanthene]-4'-ylthiophen-2-yl)pyridine?
2-phenyl-5-(5-spiro[fluorene-9,9'-xanthene]-4'-ylthiophen-2-yl)pyridine has a molecular weight of 567.71 g/mol, XLogP of 10.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(5-spiro[fluorene-9,9'-xanthene]-4'-ylthiophen-2-yl)pyridine is sourced from PubChem (CID 130379258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).