2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;4-[5-(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-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4-phenylquinazoline

C171H104N16O4 — CID 162147407

IUPAC2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;4-[5-(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-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4-phenylquinazoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4-c4c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc4C54c5ccccc5Oc5ccccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3c(-c5nc(-c6ccccc6)nc6oc7ccccc7c56)cccc3C43c4ccccc4Oc4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3cc(-c5nc(-c6ccccc6)c6ccccc6n5)ccc3C43c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C61H38N6O.C56H33N5O2.C54H33N5O/c1-5-19-40(20-6-1)55-62-56(41-21-7-2-8-22-41)64-59(63-55)44-37-35-39(36-38-44)45-27-17-31-49-53(45)54-46(60-66-57(42-23-9-3-10-24-42)65-58(67-60)43-25-11-4-12-26-43)28-18-32-50(54)61(49)47-29-13-15-33-51(47)68-52-34-16-14-30-48(52)61;1-4-18-34(19-5-1)51-57-50(49-37-24-10-13-31-44(37)63-55(49)61-51)38-25-16-29-42-47(38)48-39(54-59-52(35-20-6-2-7-21-35)58-53(60-54)36-22-8-3-9-23-36)26-17-30-43(48)56(42)40-27-11-14-32-45(40)62-46-33-15-12-28-41(46)56;1-4-17-34(18-5-1)49-38-23-10-13-28-45(38)55-52(56-49)37-31-32-41-40(33-37)48-39(53-58-50(35-19-6-2-7-20-35)57-51(59-53)36-21-8-3-9-22-36)24-16-27-44(48)54(41)42-25-11-14-29-46(42)60-47-30-15-12-26-43(47)54/h1-38H;1-33H;1-33H
InChIKeyZKSZAPJWYADBGJ-UHFFFAOYSA-N
MW2446.82 g/mol
LogP40.18
Rot. Bonds17

About 2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;4-[5-(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-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4-phenylquinazoline

2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;4-[5-(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-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4-phenylquinazoline (PubChem CID 162147407) has the molecular formula C171H104N16O4 and a molecular weight of 2446.82 g/mol. Its IUPAC name is 2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;4-[5-(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-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4-phenylquinazoline.

Molecular Properties

Compound Name2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;4-[5-(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-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4-phenylquinazoline
PubChem CID162147407
Molecular FormulaC171H104N16O4
Molecular Weight2446.82 g/mol
Exact Mass2444.84
IUPAC Name2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;4-[5-(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-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4-phenylquinazoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4-c4c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc4C54c5ccccc5Oc5ccccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3c(-c5nc(-c6ccccc6)nc6oc7ccccc7c56)cccc3C43c4ccccc4Oc4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3cc(-c5nc(-c6ccccc6)c6ccccc6n5)ccc3C43c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C61H38N6O.C56H33N5O2.C54H33N5O/c1-5-19-40(20-6-1)55-62-56(41-21-7-2-8-22-41)64-59(63-55)44-37-35-39(36-38-44)45-27-17-31-49-53(45)54-46(60-66-57(42-23-9-3-10-24-42)65-58(67-60)43-25-11-4-12-26-43)28-18-32-50(54)61(49)47-29-13-15-33-51(47)68-52-34-16-14-30-48(52)61;1-4-18-34(19-5-1)51-57-50(49-37-24-10-13-31-44(37)63-55(49)61-51)38-25-16-29-42-47(38)48-39(54-59-52(35-20-6-2-7-21-35)58-53(60-54)36-22-8-3-9-23-36)26-17-30-43(48)56(42)40-27-11-14-32-45(40)62-46-33-15-12-28-41(46)56;1-4-17-34(18-5-1)49-38-23-10-13-28-45(38)55-52(56-49)37-31-32-41-40(33-37)48-39(53-58-50(35-19-6-2-7-20-35)57-51(59-53)36-21-8-3-9-22-36)24-16-27-44(48)54(41)42-25-11-14-29-46(42)60-47-30-15-12-26-43(47)54/h1-38H;1-33H;1-33H
InChIKeyZKSZAPJWYADBGJ-UHFFFAOYSA-N
XLogP40.18
TPSA247.07 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002446.82
LogP ≤ 540.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;4-[5-(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-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4-phenylquinazoline with MolForge

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Related Compounds

4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 153297812
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
2-[4-[5-(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 146920212
4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 153297742
4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;2-(4-phenylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline;4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline
CID 159835450
4-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)quinazoline
CID 139306700
2-(4-phenylphenyl)-4-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 170928881
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146648601
CID 146184411
CID 146184411
2-dibenzofuran-1-yl-4-phenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-1,3,5-triazine
CID 166738010
2-dibenzofuran-1-yl-4-phenyl-6-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]-1,3,5-triazine
CID 146649021
4-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)quinazoline
CID 139306744

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;4-[5-(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-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4-phenylquinazoline?
The IUPAC name of 2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;4-[5-(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-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4-phenylquinazoline (CID 162147407) is 2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;4-[5-(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-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4-phenylquinazoline.
What is the SMILES notation for 2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;4-[5-(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-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4-phenylquinazoline?
The canonical SMILES for 2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;4-[5-(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-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4-phenylquinazoline is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4-c4c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc4C54c5ccccc5Oc5ccccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3c(-c5nc(-c6ccccc6)nc6oc7ccccc7c56)cccc3C43c4ccccc4Oc4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3cc(-c5nc(-c6ccccc6)c6ccccc6n5)ccc3C43c4ccccc4Oc4ccccc43)n2)cc1.
What is the InChIKey of 2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;4-[5-(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-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4-phenylquinazoline?
The InChIKey is ZKSZAPJWYADBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N6O.C56H33N5O2.C54H33N5O/c1-5-19-40(20-6-1)55-62-56(41-21-7-2-8-22-41)64-59(63-55)44-37-35-39(36-38-44)45-27-17-31-49-53(45)54-46(60-66-57(42-23-9-3-10-24-42)65-58(67-60)43-25-11-4-12-26-43)28-18-32-50(54)61(49)47-29-13-15-33-51(47)68-52-34-16-14-30-48(52)61;1-4-18-34(19-5-1)51-57-50(49-37-24-10-13-31-44(37)63-55(49)61-51)38-25-16-29-42-47(38)48-39(54-59-52(35-20-6-2-7-21-35)58-53(60-54)36-22-8-3-9-23-36)26-17-30-43(48)56(42)40-27-11-14-32-45(40)62-46-33-15-12-28-41(46)56;1-4-17-34(18-5-1)49-38-23-10-13-28-45(38)55-52(56-49)37-31-32-41-40(33-37)48-39(53-58-50(35-19-6-2-7-20-35)57-51(59-53)36-21-8-3-9-22-36)24-16-27-44(48)54(41)42-25-11-14-29-46(42)60-47-30-15-12-26-43(47)54/h1-38H;1-33H;1-33H.
What are the key properties of 2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;4-[5-(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-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4-phenylquinazoline?
2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;4-[5-(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-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4-phenylquinazoline has a molecular weight of 2446.82 g/mol, XLogP of 40.18, 17 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;4-[5-(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-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4-phenylquinazoline is sourced from PubChem (CID 162147407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).