2,4-diphenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-10-yl-1,3,5-triazine

C46H27N3O2 — CID 156559668

IUPAC2,4-diphenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-10-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3cc5c(cc3C43c4ccccc4Oc4ccccc43)oc3ccccc35)n2)cc1
InChIInChI=1S/C46H27N3O2/c1-3-13-28(14-4-1)43-47-44(29-15-5-2-6-16-29)49-45(48-43)30-23-24-35-32(25-30)33-26-34-31-17-7-10-20-39(31)50-42(34)27-38(33)46(35)36-18-8-11-21-40(36)51-41-22-12-9-19-37(41)46/h1-27H
InChIKeySFCFKIQNOUQBMC-UHFFFAOYSA-N
MW653.74 g/mol
LogP11.24
Rot. Bonds3

About 2,4-diphenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-10-yl-1,3,5-triazine

2,4-diphenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-10-yl-1,3,5-triazine (PubChem CID 156559668) has the molecular formula C46H27N3O2 and a molecular weight of 653.74 g/mol. Its IUPAC name is 2,4-diphenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-10-yl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-10-yl-1,3,5-triazine
PubChem CID156559668
Molecular FormulaC46H27N3O2
Molecular Weight653.74 g/mol
Exact Mass653.21
IUPAC Name2,4-diphenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-10-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3cc5c(cc3C43c4ccccc4Oc4ccccc43)oc3ccccc35)n2)cc1
InChIInChI=1S/C46H27N3O2/c1-3-13-28(14-4-1)43-47-44(29-15-5-2-6-16-29)49-45(48-43)30-23-24-35-32(25-30)33-26-34-31-17-7-10-20-39(31)50-42(34)27-38(33)46(35)36-18-8-11-21-40(36)51-41-22-12-9-19-37(41)46/h1-27H
InChIKeySFCFKIQNOUQBMC-UHFFFAOYSA-N
XLogP11.24
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.74
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,4-diphenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-10-yl-1,3,5-triazine with MolForge

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Related Compounds

2,4-diphenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-9-ylpyrimidine
CID 167340456
2-dibenzofuran-1-yl-4-phenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-yl-1,3,5-triazine
CID 156559736
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-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 153287979
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297866
2,4-diphenyl-6-[6-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-1,3,5-triazine
CID 154596947
2-dibenzofuran-3-yl-4-phenyl-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 148861286
CID 140918548
CID 140918548
2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazine
CID 167349465
2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylphenyl)-1,3,5-triazine
CID 156560244
2,4-diphenyl-6-spiro[10,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-1,3,5-triazine
CID 138495802
2-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297762
2,4-diphenyl-6-spiro[fluoreno[3,2-b][1]benzofuran-11,9'-xanthene]-3-ylpyrimidine
CID 167340500

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-10-yl-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-10-yl-1,3,5-triazine (CID 156559668) is 2,4-diphenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-10-yl-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-10-yl-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-10-yl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3cc5c(cc3C43c4ccccc4Oc4ccccc43)oc3ccccc35)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-10-yl-1,3,5-triazine?
The InChIKey is SFCFKIQNOUQBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N3O2/c1-3-13-28(14-4-1)43-47-44(29-15-5-2-6-16-29)49-45(48-43)30-23-24-35-32(25-30)33-26-34-31-17-7-10-20-39(31)50-42(34)27-38(33)46(35)36-18-8-11-21-40(36)51-41-22-12-9-19-37(41)46/h1-27H.
What are the key properties of 2,4-diphenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-10-yl-1,3,5-triazine?
2,4-diphenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-10-yl-1,3,5-triazine has a molecular weight of 653.74 g/mol, XLogP of 11.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-10-yl-1,3,5-triazine is sourced from PubChem (CID 156559668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).