2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylphenyl)-1,3,5-triazine

C58H35N3O2 — CID 156560244

IUPAC2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4cccc5oc6cc7c(cc6c45)-c4ccccc4C74c5ccccc5Oc5ccccc54)n3)cc2)cc1
InChIInChI=1S/C58H35N3O2/c1-3-16-36(17-4-1)37-30-32-39(33-31-37)56-59-55(38-18-5-2-6-19-38)60-57(61-56)43-22-8-7-20-40(43)42-23-15-29-52-54(42)45-34-44-41-21-9-10-24-46(41)58(49(44)35-53(45)63-52)47-25-11-13-27-50(47)62-51-28-14-12-26-48(51)58/h1-35H
InChIKeyFMAHYOABJHUIQI-UHFFFAOYSA-N
MW805.94 g/mol
LogP14.57
Rot. Bonds5

About 2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylphenyl)-1,3,5-triazine

2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylphenyl)-1,3,5-triazine (PubChem CID 156560244) has the molecular formula C58H35N3O2 and a molecular weight of 805.94 g/mol. Its IUPAC name is 2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylphenyl)-1,3,5-triazine
PubChem CID156560244
Molecular FormulaC58H35N3O2
Molecular Weight805.94 g/mol
Exact Mass805.27
IUPAC Name2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4cccc5oc6cc7c(cc6c45)-c4ccccc4C74c5ccccc5Oc5ccccc54)n3)cc2)cc1
InChIInChI=1S/C58H35N3O2/c1-3-16-36(17-4-1)37-30-32-39(33-31-37)56-59-55(38-18-5-2-6-19-38)60-57(61-56)43-22-8-7-20-40(43)42-23-15-29-52-54(42)45-34-44-41-21-9-10-24-46(41)58(49(44)35-53(45)63-52)47-25-11-13-27-50(47)62-51-28-14-12-26-48(51)58/h1-35H
InChIKeyFMAHYOABJHUIQI-UHFFFAOYSA-N
XLogP14.57
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.94
LogP ≤ 514.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
4,6-diphenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylpyrimidine
CID 167340522
2,4-diphenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-10-yl-1,3,5-triazine
CID 156559668
2-dibenzofuran-1-yl-4-phenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-1,3,5-triazine
CID 166738010
2-phenyl-4-(3-phenylphenyl)-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine
CID 134571369
2-phenyl-3-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline
CID 156560159
4-phenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline
CID 156559765
2-dibenzofuran-1-yl-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002722
2-dibenzofuran-3-yl-4-phenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-yl-1,3,5-triazine;2-(9H-fluoren-3-yl)-4-phenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-yl-1,3,5-triazine
CID 162200037
2-(3,5-diphenylphenyl)-4-phenyl-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine
CID 134571454
2,4-diphenyl-6-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-20-yl-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-20-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-20-yl-1,3,5-triazine
CID 164962518
2,4-diphenyl-6-[2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 160865421

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylphenyl)-1,3,5-triazine?
The IUPAC name of 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) is 2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4cccc5oc6cc7c(cc6c45)-c4ccccc4C74c5ccccc5Oc5ccccc54)n3)cc2)cc1.
What is the InChIKey of 2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylphenyl)-1,3,5-triazine?
The InChIKey is FMAHYOABJHUIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N3O2/c1-3-16-36(17-4-1)37-30-32-39(33-31-37)56-59-55(38-18-5-2-6-19-38)60-57(61-56)43-22-8-7-20-40(43)42-23-15-29-52-54(42)45-34-44-41-21-9-10-24-46(41)58(49(44)35-53(45)63-52)47-25-11-13-27-50(47)62-51-28-14-12-26-48(51)58/h1-35H.
What are the key properties of 2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylphenyl)-1,3,5-triazine?
2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylphenyl)-1,3,5-triazine has a molecular weight of 805.94 g/mol, XLogP of 14.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 156560244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).