2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine

C52H31N3O2 — CID 167349084

IUPAC2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
SMILESc1ccc(-c2ccccc2-c2nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C52H31N3O2/c1-2-15-32(16-3-1)34-17-4-5-20-39(34)50-53-49(54-51(55-50)40-22-14-21-38-37-19-7-11-26-45(37)57-48(38)40)33-29-30-36-35-18-6-8-23-41(35)52(44(36)31-33)42-24-9-12-27-46(42)56-47-28-13-10-25-43(47)52/h1-31H
InChIKeyUZCVDPYZBXCEDK-UHFFFAOYSA-N
MW729.84 g/mol
LogP12.91
Rot. Bonds4

About 2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine

2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine (PubChem CID 167349084) has the molecular formula C52H31N3O2 and a molecular weight of 729.84 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
PubChem CID167349084
Molecular FormulaC52H31N3O2
Molecular Weight729.84 g/mol
Exact Mass729.24
IUPAC Name2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
SMILESc1ccc(-c2ccccc2-c2nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C52H31N3O2/c1-2-15-32(16-3-1)34-17-4-5-20-39(34)50-53-49(54-51(55-50)40-22-14-21-38-37-19-7-11-26-45(37)57-48(38)40)33-29-30-36-35-18-6-8-23-41(35)52(44(36)31-33)42-24-9-12-27-46(42)56-47-28-13-10-25-43(47)52/h1-31H
InChIKeyUZCVDPYZBXCEDK-UHFFFAOYSA-N
XLogP12.91
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.84
LogP ≤ 512.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazine
CID 167349465
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 140947298
4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3-ylpyrimidine
CID 167348999
2-dibenzofuran-1-yl-4-(4-phenylphenyl)-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]-11'-yl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(4-phenylphenyl)-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]-11'-yl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(2-phenylphenyl)-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]-11'-yl-1,3,5-triazine
CID 158983289
2-dibenzofuran-2-yl-4-(2-phenylphenyl)-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]-2-yl-1,3,5-triazine
CID 153288049
2-dibenzofuran-4-yl-4-(7-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]-4-yl)-6-phenyl-1,3,5-triazine
CID 154597028
2-dibenzofuran-4-yl-4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 165160204
2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 167349260
2-dibenzofuran-4-yl-4-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-6-phenyl-1,3,5-triazine
CID 154597002
2-(2-phenylphenyl)-4,6-di(spiro[fluorene-9,9'-xanthene]-2'-yl)-1,3,5-triazine
CID 174271533
2-dibenzofuran-1-yl-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine
CID 161391981
2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylphenyl)-1,3,5-triazine
CID 155278995

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine (CID 167349084) is 2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine is c1ccc(-c2ccccc2-c2nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)nc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine?
The InChIKey is UZCVDPYZBXCEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N3O2/c1-2-15-32(16-3-1)34-17-4-5-20-39(34)50-53-49(54-51(55-50)40-22-14-21-38-37-19-7-11-26-45(37)57-48(38)40)33-29-30-36-35-18-6-8-23-41(35)52(44(36)31-33)42-24-9-12-27-46(42)56-47-28-13-10-25-43(47)52/h1-31H.
What are the key properties of 2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine?
2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine has a molecular weight of 729.84 g/mol, XLogP of 12.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine is sourced from PubChem (CID 167349084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).