2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine

C230H136N20O7S — CID 162059090

IUPAC2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cccc(-c5ccc(-c6nc(-c7ccccc7)c7oc8ccccc8c7n6)cc5)c3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cccc(-c5nc(-c6ccccc6)c6oc7ccccc7c6n5)c3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cccc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)c3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cccc(-c5nc(-c6ccccc6)nc6oc7ccccc7c56)c3-4)n2)cc1
InChIInChI=1S/C62H37N5O2.2C56H33N5O2.C56H33N5OS/c1-4-17-39(18-5-1)55-57-56(46-23-10-13-28-51(46)69-57)64-58(63-55)42-33-31-38(32-34-42)44-24-16-27-49-54(44)45-36-35-43(37-50(45)62(49)47-25-11-14-29-52(47)68-53-30-15-12-26-48(53)62)61-66-59(40-19-6-2-7-20-40)65-60(67-61)41-21-8-3-9-22-41;1-4-17-34(18-5-1)51-57-50(49-39-23-10-13-28-45(39)63-55(49)61-51)40-24-16-27-43-48(40)38-32-31-37(33-44(38)56(43)41-25-11-14-29-46(41)62-47-30-15-12-26-42(47)56)54-59-52(35-19-6-2-7-20-35)58-53(60-54)36-21-8-3-9-22-36;1-4-17-34(18-5-1)49-51-50(39-23-10-13-28-45(39)63-51)58-55(57-49)40-24-16-27-43-48(40)38-32-31-37(33-44(38)56(43)41-25-11-14-29-46(41)62-47-30-15-12-26-42(47)56)54-60-52(35-19-6-2-7-20-35)59-53(61-54)36-21-8-3-9-22-36;1-4-17-34(18-5-1)49-51-50(39-23-10-15-30-47(39)63-51)58-55(57-49)40-24-16-27-43-48(40)38-32-31-37(33-44(38)56(43)41-25-11-13-28-45(41)62-46-29-14-12-26-42(46)56)54-60-52(35-19-6-2-7-20-35)59-53(61-54)36-21-8-3-9-22-36/h1-37H;3*1-33H
InChIKeyYZOSQNGBLJCGTO-UHFFFAOYSA-N
MW3323.82 g/mol
LogP55.59
Rot. Bonds21

About 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine

2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 162059090) has the molecular formula C230H136N20O7S and a molecular weight of 3323.82 g/mol. Its IUPAC name is 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID162059090
Molecular FormulaC230H136N20O7S
Molecular Weight3323.82 g/mol
Exact Mass3321.06
IUPAC Name2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cccc(-c5ccc(-c6nc(-c7ccccc7)c7oc8ccccc8c7n6)cc5)c3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cccc(-c5nc(-c6ccccc6)c6oc7ccccc7c6n5)c3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cccc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)c3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cccc(-c5nc(-c6ccccc6)nc6oc7ccccc7c56)c3-4)n2)cc1
InChIInChI=1S/C62H37N5O2.2C56H33N5O2.C56H33N5OS/c1-4-17-39(18-5-1)55-57-56(46-23-10-13-28-51(46)69-57)64-58(63-55)42-33-31-38(32-34-42)44-24-16-27-49-54(44)45-36-35-43(37-50(45)62(49)47-25-11-14-29-52(47)68-53-30-15-12-26-48(53)62)61-66-59(40-19-6-2-7-20-40)65-60(67-61)41-21-8-3-9-22-41;1-4-17-34(18-5-1)51-57-50(49-39-23-10-13-28-45(39)63-55(49)61-51)40-24-16-27-43-48(40)38-32-31-37(33-44(38)56(43)41-25-11-14-29-46(41)62-47-30-15-12-26-42(47)56)54-59-52(35-19-6-2-7-20-35)58-53(60-54)36-21-8-3-9-22-36;1-4-17-34(18-5-1)49-51-50(39-23-10-13-28-45(39)63-51)58-55(57-49)40-24-16-27-43-48(40)38-32-31-37(33-44(38)56(43)41-25-11-14-29-46(41)62-47-30-15-12-26-42(47)56)54-60-52(35-19-6-2-7-20-35)59-53(61-54)36-21-8-3-9-22-36;1-4-17-34(18-5-1)49-51-50(39-23-10-15-30-47(39)63-51)58-55(57-49)40-24-16-27-43-48(40)38-32-31-37(33-44(38)56(43)41-25-11-13-28-45(41)62-46-29-14-12-26-42(46)56)54-60-52(35-19-6-2-7-20-35)59-53(61-54)36-21-8-3-9-22-36/h1-37H;3*1-33H
InChIKeyYZOSQNGBLJCGTO-UHFFFAOYSA-N
XLogP55.59
TPSA334.14 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds21
Heavy Atoms258
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003323.82
LogP ≤ 555.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine (CID 162059090) is 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cccc(-c5ccc(-c6nc(-c7ccccc7)c7oc8ccccc8c7n6)cc5)c3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cccc(-c5nc(-c6ccccc6)c6oc7ccccc7c6n5)c3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cccc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)c3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cccc(-c5nc(-c6ccccc6)nc6oc7ccccc7c56)c3-4)n2)cc1.
What is the InChIKey of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is YZOSQNGBLJCGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H37N5O2.2C56H33N5O2.C56H33N5OS/c1-4-17-39(18-5-1)55-57-56(46-23-10-13-28-51(46)69-57)64-58(63-55)42-33-31-38(32-34-42)44-24-16-27-49-54(44)45-36-35-43(37-50(45)62(49)47-25-11-14-29-52(47)68-53-30-15-12-26-48(53)62)61-66-59(40-19-6-2-7-20-40)65-60(67-61)41-21-8-3-9-22-41;1-4-17-34(18-5-1)51-57-50(49-39-23-10-13-28-45(39)63-55(49)61-51)40-24-16-27-43-48(40)38-32-31-37(33-44(38)56(43)41-25-11-14-29-46(41)62-47-30-15-12-26-42(47)56)54-59-52(35-19-6-2-7-20-35)58-53(60-54)36-21-8-3-9-22-36;1-4-17-34(18-5-1)49-51-50(39-23-10-13-28-45(39)63-51)58-55(57-49)40-24-16-27-43-48(40)38-32-31-37(33-44(38)56(43)41-25-11-14-29-46(41)62-47-30-15-12-26-42(47)56)54-60-52(35-19-6-2-7-20-35)59-53(61-54)36-21-8-3-9-22-36;1-4-17-34(18-5-1)49-51-50(39-23-10-15-30-47(39)63-51)58-55(57-49)40-24-16-27-43-48(40)38-32-31-37(33-44(38)56(43)41-25-11-13-28-45(41)62-46-29-14-12-26-42(46)56)54-60-52(35-19-6-2-7-20-35)59-53(61-54)36-21-8-3-9-22-36/h1-37H;3*1-33H.
What are the key properties of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 3323.82 g/mol, XLogP of 55.59, 21 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 162059090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).