2,4-dipyridin-2-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-yl-1,3,5-triazine

C40H23N5O — CID 134529276

IUPAC2,4-dipyridin-2-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)-c3c(oc5ccccc35)C43c4ccccc4-c4ccccc43)nc(-c3ccccn3)n2)nc1
InChIInChI=1S/C40H23N5O/c1-4-14-29-25(11-1)26-12-2-5-15-30(26)40(29)31-20-19-24(23-28(31)35-27-13-3-6-18-34(27)46-36(35)40)37-43-38(32-16-7-9-21-41-32)45-39(44-37)33-17-8-10-22-42-33/h1-23H
InChIKeyGJDGJWSEIDXYAD-UHFFFAOYSA-N
MW589.66 g/mol
LogP8.75
Rot. Bonds3

About 2,4-dipyridin-2-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-yl-1,3,5-triazine

2,4-dipyridin-2-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-yl-1,3,5-triazine (PubChem CID 134529276) has the molecular formula C40H23N5O and a molecular weight of 589.66 g/mol. Its IUPAC name is 2,4-dipyridin-2-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-yl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dipyridin-2-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-yl-1,3,5-triazine
PubChem CID134529276
Molecular FormulaC40H23N5O
Molecular Weight589.66 g/mol
Exact Mass589.19
IUPAC Name2,4-dipyridin-2-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)-c3c(oc5ccccc35)C43c4ccccc4-c4ccccc43)nc(-c3ccccn3)n2)nc1
InChIInChI=1S/C40H23N5O/c1-4-14-29-25(11-1)26-12-2-5-15-30(26)40(29)31-20-19-24(23-28(31)35-27-13-3-6-18-34(27)46-36(35)40)37-43-38(32-16-7-9-21-41-32)45-39(44-37)33-17-8-10-22-42-33/h1-23H
InChIKeyGJDGJWSEIDXYAD-UHFFFAOYSA-N
XLogP8.75
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.66
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)pyridine
CID 134529300
2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylpyrimidine;2,4-dinaphthalen-2-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-yl-1,3,5-triazine;2,4-dipyridin-2-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-yl-1,3,5-triazine
CID 159159441
2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-1-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-yl-1,3,5-triazine
CID 134529294
2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylpyrimidine
CID 154619089
2,4-diphenyl-6-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylphenyl)pyrimidine
CID 129264561
4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)pyrimidine;4-naphthalen-1-yl-6-phenyl-2-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)pyrimidine;2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylpyrimidine
CID 159671779
2-(9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-yl-1,3,5-triazine
CID 134529288
2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-ylphenyl)pyrimidine
CID 134529254
2-naphthalen-1-yl-4-(9,9'-spirobi[fluorene]-2-yl)-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine;2-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)-4,6-dipyridin-2-yl-1,3,5-triazine;2-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine;2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 158877636
2-dibenzofuran-2-yl-4-dibenzofuran-4-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-1,3,5-triazine
CID 153288086
4-phenyl-2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-ylpyrimidine
CID 161342910
2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine
CID 153287871

Frequently Asked Questions

What is the IUPAC name of 2,4-dipyridin-2-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-yl-1,3,5-triazine?
The IUPAC name of 2,4-dipyridin-2-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-yl-1,3,5-triazine (CID 134529276) is 2,4-dipyridin-2-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-yl-1,3,5-triazine.
What is the SMILES notation for 2,4-dipyridin-2-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-yl-1,3,5-triazine?
The canonical SMILES for 2,4-dipyridin-2-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-yl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)-c3c(oc5ccccc35)C43c4ccccc4-c4ccccc43)nc(-c3ccccn3)n2)nc1.
What is the InChIKey of 2,4-dipyridin-2-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-yl-1,3,5-triazine?
The InChIKey is GJDGJWSEIDXYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N5O/c1-4-14-29-25(11-1)26-12-2-5-15-30(26)40(29)31-20-19-24(23-28(31)35-27-13-3-6-18-34(27)46-36(35)40)37-43-38(32-16-7-9-21-41-32)45-39(44-37)33-17-8-10-22-42-33/h1-23H.
What are the key properties of 2,4-dipyridin-2-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-yl-1,3,5-triazine?
2,4-dipyridin-2-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-yl-1,3,5-triazine has a molecular weight of 589.66 g/mol, XLogP of 8.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dipyridin-2-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-yl-1,3,5-triazine is sourced from PubChem (CID 134529276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).