2-(2'-quinoxalin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)quinoxaline

C41H24N4O — CID 59096345

IUPAC2-(2'-quinoxalin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)quinoxaline
SMILESc1ccc2c(c1)Oc1ccc(-c3cnc4ccccc4n3)cc1C21c2ccccc2-c2ccc(-c3cnc4ccccc4n3)cc21
InChIInChI=1S/C41H24N4O/c1-2-10-29-27(9-1)28-19-17-25(37-23-42-33-12-4-6-14-35(33)44-37)21-31(28)41(29)30-11-3-8-16-39(30)46-40-20-18-26(22-32(40)41)38-24-43-34-13-5-7-15-36(34)45-38/h1-24H
InChIKeyHBNDMKLKPMMETH-UHFFFAOYSA-N
MW588.67 g/mol
LogP9.38
Rot. Bonds2

About 2-(2'-quinoxalin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)quinoxaline

2-(2'-quinoxalin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)quinoxaline (PubChem CID 59096345) has the molecular formula C41H24N4O and a molecular weight of 588.67 g/mol. Its IUPAC name is 2-(2'-quinoxalin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)quinoxaline.

Molecular Properties

Compound Name2-(2'-quinoxalin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)quinoxaline
PubChem CID59096345
Molecular FormulaC41H24N4O
Molecular Weight588.67 g/mol
Exact Mass588.20
IUPAC Name2-(2'-quinoxalin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)quinoxaline
SMILESc1ccc2c(c1)Oc1ccc(-c3cnc4ccccc4n3)cc1C21c2ccccc2-c2ccc(-c3cnc4ccccc4n3)cc21
InChIInChI=1S/C41H24N4O/c1-2-10-29-27(9-1)28-19-17-25(37-23-42-33-12-4-6-14-35(33)44-37)21-31(28)41(29)30-11-3-8-16-39(30)46-40-20-18-26(22-32(40)41)38-24-43-34-13-5-7-15-36(34)45-38/h1-24H
InChIKeyHBNDMKLKPMMETH-UHFFFAOYSA-N
XLogP9.38
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.67
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2'-quinoxalin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)quinoxaline?
The IUPAC name of 2-(2'-quinoxalin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)quinoxaline (CID 59096345) is 2-(2'-quinoxalin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)quinoxaline.
What is the SMILES notation for 2-(2'-quinoxalin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)quinoxaline?
The canonical SMILES for 2-(2'-quinoxalin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)quinoxaline is c1ccc2c(c1)Oc1ccc(-c3cnc4ccccc4n3)cc1C21c2ccccc2-c2ccc(-c3cnc4ccccc4n3)cc21.
What is the InChIKey of 2-(2'-quinoxalin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)quinoxaline?
The InChIKey is HBNDMKLKPMMETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N4O/c1-2-10-29-27(9-1)28-19-17-25(37-23-42-33-12-4-6-14-35(33)44-37)21-31(28)41(29)30-11-3-8-16-39(30)46-40-20-18-26(22-32(40)41)38-24-43-34-13-5-7-15-36(34)45-38/h1-24H.
What are the key properties of 2-(2'-quinoxalin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)quinoxaline?
2-(2'-quinoxalin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)quinoxaline has a molecular weight of 588.67 g/mol, XLogP of 9.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2'-quinoxalin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)quinoxaline is sourced from PubChem (CID 59096345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).