2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(6H-phenalen-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-phenanthren-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine

C330H210N12O7 — CID 161321502

IUPAC2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(6H-phenalen-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-phenanthren-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
SMILESC1=Cc2cc(-c3cc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7O6)c6ccccc6-c6ccccc65)c4)nc(-c4ccccc4)n3)cc3cccc(c23)C1.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7O6)c6ccccc6-c6ccccc65)c4)nc(-c4ccccc4)n3)cc21.c1ccc(-c2cc(-c3ccccc3-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7O6)c6ccccc6-c6ccccc65)c4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)c3)cc(-c3ccc4c(ccc5ccccc54)c3)n2)cc1
InChIInChI=1S/C59H36N2O2.C59H38N2O.C56H38N2O.C55H34N2O.C54H34N2O.C47H30N2O/c1-2-14-39(15-3-1)58-60-52(38-30-28-37(29-31-38)43-21-13-22-47-46-20-6-10-26-54(46)63-57(43)47)36-53(61-58)42-17-12-16-40(34-42)41-32-33-56-51(35-41)59(50-25-9-11-27-55(50)62-56)48-23-7-4-18-44(48)45-19-5-8-24-49(45)59;1-3-16-39(17-4-1)41-20-13-23-45(34-41)54-38-55(61-58(60-54)47-25-15-21-42(36-47)40-18-5-2-6-19-40)46-24-14-22-43(35-46)44-32-33-57-53(37-44)59(52-30-11-12-31-56(52)62-57)50-28-9-7-26-48(50)49-27-8-10-29-51(49)59;1-55(2)44-22-9-6-19-40(44)43-29-27-39(33-48(43)55)51-34-50(57-54(58-51)35-15-4-3-5-16-35)38-18-14-17-36(31-38)37-28-30-53-49(32-37)56(47-25-12-13-26-52(47)59-53)45-23-10-7-20-41(45)42-21-8-11-24-46(42)56;1-2-14-36(15-3-1)54-56-50(34-51(57-54)41-27-29-43-39(32-41)26-25-35-13-4-5-18-42(35)43)40-17-12-16-37(31-40)38-28-30-53-49(33-38)55(48-23-10-11-24-52(48)58-53)46-21-8-6-19-44(46)45-20-7-9-22-47(45)55;1-2-13-35(14-3-1)53-55-48(33-49(56-53)41-30-39-19-10-15-34-16-11-20-40(31-41)52(34)39)38-18-12-17-36(29-38)37-27-28-51-47(32-37)54(46-25-8-9-26-50(46)57-51)44-23-6-4-21-42(44)43-22-5-7-24-45(43)54;1-3-15-31(16-4-1)42-30-43(49-46(48-42)32-17-5-2-6-18-32)37-22-8-7-19-34(37)33-27-28-45-41(29-33)47(40-25-13-14-26-44(40)50-45)38-23-11-9-20-35(38)36-21-10-12-24-39(36)47/h1-36H;1-38H;3-34H,1-2H3;1-34H;1-15,17-33H,16H2;1-30H
InChIKeyVKEZATRAKLLTKF-UHFFFAOYSA-N
MW4455.39 g/mol
LogP82.92
Rot. Bonds27

About 2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(6H-phenalen-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-phenanthren-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine

2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(6H-phenalen-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-phenanthren-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine (PubChem CID 161321502) has the molecular formula C330H210N12O7 and a molecular weight of 4455.39 g/mol. Its IUPAC name is 2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(6H-phenalen-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-phenanthren-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(6H-phenalen-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-phenanthren-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
PubChem CID161321502
Molecular FormulaC330H210N12O7
Molecular Weight4455.39 g/mol
Exact Mass4451.64
IUPAC Name2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(6H-phenalen-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-phenanthren-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
SMILESC1=Cc2cc(-c3cc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7O6)c6ccccc6-c6ccccc65)c4)nc(-c4ccccc4)n3)cc3cccc(c23)C1.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7O6)c6ccccc6-c6ccccc65)c4)nc(-c4ccccc4)n3)cc21.c1ccc(-c2cc(-c3ccccc3-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7O6)c6ccccc6-c6ccccc65)c4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)c3)cc(-c3ccc4c(ccc5ccccc54)c3)n2)cc1
InChIInChI=1S/C59H36N2O2.C59H38N2O.C56H38N2O.C55H34N2O.C54H34N2O.C47H30N2O/c1-2-14-39(15-3-1)58-60-52(38-30-28-37(29-31-38)43-21-13-22-47-46-20-6-10-26-54(46)63-57(43)47)36-53(61-58)42-17-12-16-40(34-42)41-32-33-56-51(35-41)59(50-25-9-11-27-55(50)62-56)48-23-7-4-18-44(48)45-19-5-8-24-49(45)59;1-3-16-39(17-4-1)41-20-13-23-45(34-41)54-38-55(61-58(60-54)47-25-15-21-42(36-47)40-18-5-2-6-19-40)46-24-14-22-43(35-46)44-32-33-57-53(37-44)59(52-30-11-12-31-56(52)62-57)50-28-9-7-26-48(50)49-27-8-10-29-51(49)59;1-55(2)44-22-9-6-19-40(44)43-29-27-39(33-48(43)55)51-34-50(57-54(58-51)35-15-4-3-5-16-35)38-18-14-17-36(31-38)37-28-30-53-49(32-37)56(47-25-12-13-26-52(47)59-53)45-23-10-7-20-41(45)42-21-8-11-24-46(42)56;1-2-14-36(15-3-1)54-56-50(34-51(57-54)41-27-29-43-39(32-41)26-25-35-13-4-5-18-42(35)43)40-17-12-16-37(31-40)38-28-30-53-49(33-38)55(48-23-10-11-24-52(48)58-53)46-21-8-6-19-44(46)45-20-7-9-22-47(45)55;1-2-13-35(14-3-1)53-55-48(33-49(56-53)41-30-39-19-10-15-34-16-11-20-40(31-41)52(34)39)38-18-12-17-36(29-38)37-27-28-51-47(32-37)54(46-25-8-9-26-50(46)57-51)44-23-6-4-21-42(44)43-22-5-7-24-45(43)54;1-3-15-31(16-4-1)42-30-43(49-46(48-42)32-17-5-2-6-18-32)37-22-8-7-19-34(37)33-27-28-45-41(29-33)47(40-25-13-14-26-44(40)50-45)38-23-11-9-20-35(38)36-21-10-12-24-39(36)47/h1-36H;1-38H;3-34H,1-2H3;1-34H;1-15,17-33H,16H2;1-30H
InChIKeyVKEZATRAKLLTKF-UHFFFAOYSA-N
XLogP82.92
TPSA223.20 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds27
Heavy Atoms349
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004455.39
LogP ≤ 582.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(6H-phenalen-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-phenanthren-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine with MolForge

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Related Compounds

2,4-bis(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-(6H-phenalen-2-yl)-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;4-phenanthren-2-yl-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 160597511
2-[3-[6'-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-4-(6H-phenalen-2-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 166710589
2-(6H-phenalen-2-yl)-4-[4-[6'-[4-[4-phenanthren-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 146342991
4-(9,9-dimethylfluoren-2-yl)-2-[3-[7'-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 146342988
2,4-bis(3-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-(6H-phenalen-2-yl)-4-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine
CID 158620512
4-dibenzofuran-3-yl-6-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 159000045
4-(4-dibenzofuran-4-ylphenyl)-2-[4-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-3'-yl)phenyl]-6-phenylpyrimidine
CID 167178156
4-[3-dibenzofuran-4-yl-5-(4-phenylphenyl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584080
4-(6H-phenalen-2-yl)-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 140947344
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 160795004
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585086
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 140947298

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(6H-phenalen-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-phenanthren-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine?
The IUPAC name of 2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(6H-phenalen-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-phenanthren-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine (CID 161321502) is 2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(6H-phenalen-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-phenanthren-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine.
What is the SMILES notation for 2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(6H-phenalen-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-phenanthren-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine?
The canonical SMILES for 2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(6H-phenalen-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-phenanthren-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine is C1=Cc2cc(-c3cc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7O6)c6ccccc6-c6ccccc65)c4)nc(-c4ccccc4)n3)cc3cccc(c23)C1.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7O6)c6ccccc6-c6ccccc65)c4)nc(-c4ccccc4)n3)cc21.c1ccc(-c2cc(-c3ccccc3-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7O6)c6ccccc6-c6ccccc65)c4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)c3)cc(-c3ccc4c(ccc5ccccc54)c3)n2)cc1.
What is the InChIKey of 2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(6H-phenalen-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-phenanthren-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine?
The InChIKey is VKEZATRAKLLTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N2O2.C59H38N2O.C56H38N2O.C55H34N2O.C54H34N2O.C47H30N2O/c1-2-14-39(15-3-1)58-60-52(38-30-28-37(29-31-38)43-21-13-22-47-46-20-6-10-26-54(46)63-57(43)47)36-53(61-58)42-17-12-16-40(34-42)41-32-33-56-51(35-41)59(50-25-9-11-27-55(50)62-56)48-23-7-4-18-44(48)45-19-5-8-24-49(45)59;1-3-16-39(17-4-1)41-20-13-23-45(34-41)54-38-55(61-58(60-54)47-25-15-21-42(36-47)40-18-5-2-6-19-40)46-24-14-22-43(35-46)44-32-33-57-53(37-44)59(52-30-11-12-31-56(52)62-57)50-28-9-7-26-48(50)49-27-8-10-29-51(49)59;1-55(2)44-22-9-6-19-40(44)43-29-27-39(33-48(43)55)51-34-50(57-54(58-51)35-15-4-3-5-16-35)38-18-14-17-36(31-38)37-28-30-53-49(32-37)56(47-25-12-13-26-52(47)59-53)45-23-10-7-20-41(45)42-21-8-11-24-46(42)56;1-2-14-36(15-3-1)54-56-50(34-51(57-54)41-27-29-43-39(32-41)26-25-35-13-4-5-18-42(35)43)40-17-12-16-37(31-40)38-28-30-53-49(33-38)55(48-23-10-11-24-52(48)58-53)46-21-8-6-19-44(46)45-20-7-9-22-47(45)55;1-2-13-35(14-3-1)53-55-48(33-49(56-53)41-30-39-19-10-15-34-16-11-20-40(31-41)52(34)39)38-18-12-17-36(29-38)37-27-28-51-47(32-37)54(46-25-8-9-26-50(46)57-51)44-23-6-4-21-42(44)43-22-5-7-24-45(43)54;1-3-15-31(16-4-1)42-30-43(49-46(48-42)32-17-5-2-6-18-32)37-22-8-7-19-34(37)33-27-28-45-41(29-33)47(40-25-13-14-26-44(40)50-45)38-23-11-9-20-35(38)36-21-10-12-24-39(36)47/h1-36H;1-38H;3-34H,1-2H3;1-34H;1-15,17-33H,16H2;1-30H.
What are the key properties of 2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(6H-phenalen-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-phenanthren-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine?
2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(6H-phenalen-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-phenanthren-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine has a molecular weight of 4455.39 g/mol, XLogP of 82.92, 27 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(6H-phenalen-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-phenanthren-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine is sourced from PubChem (CID 161321502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).