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

C300H190N12O7 — CID 160597511

IUPAC2,4-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
SMILESC1=Cc2cc(-c3cc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)nc(-c4ccccc4)n3)cc3cccc(c23)C1.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)nc(-c4ccccc4)n3)cc21.c1ccc(-c2cc(-c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccc4c(ccc5ccccc54)c3)cc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C53H32N2O2.C53H34N2O.C50H34N2O.C49H30N2O.C48H30N2O.C47H30N2O/c1-2-14-35(15-3-1)52-54-46(34-30-28-33(29-31-34)36-19-12-20-40-39-18-6-10-26-48(39)56-50(36)40)32-47(55-52)41-21-13-25-45-51(41)57-49-27-11-9-24-44(49)53(45)42-22-7-4-16-37(42)38-17-5-8-23-43(38)53;1-3-16-35(17-4-1)37-20-13-22-39(32-37)48-34-49(55-52(54-48)40-23-14-21-38(33-40)36-18-5-2-6-19-36)43-26-15-30-47-51(43)56-50-31-12-11-29-46(50)53(47)44-27-9-7-24-41(44)42-25-8-10-28-45(42)53;1-49(2)38-21-9-6-17-33(38)36-28-27-32(29-43(36)49)44-30-45(52-48(51-44)31-15-4-3-5-16-31)37-20-14-25-42-47(37)53-46-26-13-12-24-41(46)50(42)39-22-10-7-18-34(39)35-19-8-11-23-40(35)50;1-2-14-32(15-3-1)48-50-44(34-27-28-36-33(29-34)26-25-31-13-4-5-16-35(31)36)30-45(51-48)39-19-12-23-43-47(39)52-46-24-11-10-22-42(46)49(43)40-20-8-6-17-37(40)38-18-7-9-21-41(38)49;1-2-13-31(14-3-1)47-49-42(34-27-32-17-10-15-30-16-11-18-33(28-34)45(30)32)29-43(50-47)37-21-12-25-41-46(37)51-44-26-9-8-24-40(44)48(41)38-22-6-4-19-35(38)36-20-5-7-23-39(36)48;1-3-14-32(15-4-1)42-30-43(49-46(48-42)34-16-5-2-6-17-34)33-28-26-31(27-29-33)35-20-13-24-41-45(35)50-44-25-12-11-23-40(44)47(41)38-21-9-7-18-36(38)37-19-8-10-22-39(37)47/h1-32H;1-34H;3-30H,1-2H3;1-30H;1-15,17-29H,16H2;1-30H
InChIKeyRDVHIDCMHYZXNW-UHFFFAOYSA-N
MW4074.90 g/mol
LogP74.58
Rot. Bonds22

About 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

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 (PubChem CID 160597511) has the molecular formula C300H190N12O7 and a molecular weight of 4074.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,4-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
PubChem CID160597511
Molecular FormulaC300H190N12O7
Molecular Weight4074.90 g/mol
Exact Mass4071.49
IUPAC Name2,4-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
SMILESC1=Cc2cc(-c3cc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)nc(-c4ccccc4)n3)cc3cccc(c23)C1.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)nc(-c4ccccc4)n3)cc21.c1ccc(-c2cc(-c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccc4c(ccc5ccccc54)c3)cc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C53H32N2O2.C53H34N2O.C50H34N2O.C49H30N2O.C48H30N2O.C47H30N2O/c1-2-14-35(15-3-1)52-54-46(34-30-28-33(29-31-34)36-19-12-20-40-39-18-6-10-26-48(39)56-50(36)40)32-47(55-52)41-21-13-25-45-51(41)57-49-27-11-9-24-44(49)53(45)42-22-7-4-16-37(42)38-17-5-8-23-43(38)53;1-3-16-35(17-4-1)37-20-13-22-39(32-37)48-34-49(55-52(54-48)40-23-14-21-38(33-40)36-18-5-2-6-19-36)43-26-15-30-47-51(43)56-50-31-12-11-29-46(50)53(47)44-27-9-7-24-41(44)42-25-8-10-28-45(42)53;1-49(2)38-21-9-6-17-33(38)36-28-27-32(29-43(36)49)44-30-45(52-48(51-44)31-15-4-3-5-16-31)37-20-14-25-42-47(37)53-46-26-13-12-24-41(46)50(42)39-22-10-7-18-34(39)35-19-8-11-23-40(35)50;1-2-14-32(15-3-1)48-50-44(34-27-28-36-33(29-34)26-25-31-13-4-5-16-35(31)36)30-45(51-48)39-19-12-23-43-47(39)52-46-24-11-10-22-42(46)49(43)40-20-8-6-17-37(40)38-18-7-9-21-41(38)49;1-2-13-31(14-3-1)47-49-42(34-27-32-17-10-15-30-16-11-18-33(28-34)45(30)32)29-43(50-47)37-21-12-25-41-46(37)51-44-26-9-8-24-40(44)48(41)38-22-6-4-19-35(38)36-20-5-7-23-39(36)48;1-3-14-32(15-4-1)42-30-43(49-46(48-42)34-16-5-2-6-17-34)33-28-26-31(27-29-33)35-20-13-24-41-45(35)50-44-25-12-11-23-40(44)47(41)38-21-9-7-18-36(38)37-19-8-10-22-39(37)47/h1-32H;1-34H;3-30H,1-2H3;1-30H;1-15,17-29H,16H2;1-30H
InChIKeyRDVHIDCMHYZXNW-UHFFFAOYSA-N
XLogP74.58
TPSA223.20 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds22
Heavy Atoms319
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004074.90
LogP ≤ 574.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 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 with MolForge

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Related Compounds

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
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
2,4-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
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-phenanthren-2-yl-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 130379891
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-[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-phenanthren-2-yl-4-[3-[5-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazin-2-yl]-1H-phenalen-2-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine
CID 155305061
4-(4-dibenzofuran-4-ylphenyl)-2-[4-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-3'-yl)phenyl]-6-phenylpyrimidine
CID 167178156
2-dibenzofuran-4-yl-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154614151
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-1-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-3-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine
CID 159119029

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=Cc2cc(-c3cc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)nc(-c4ccccc4)n3)cc3cccc(c23)C1.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)nc(-c4ccccc4)n3)cc21.c1ccc(-c2cc(-c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccc4c(ccc5ccccc54)c3)cc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 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?
The InChIKey is RDVHIDCMHYZXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2O2.C53H34N2O.C50H34N2O.C49H30N2O.C48H30N2O.C47H30N2O/c1-2-14-35(15-3-1)52-54-46(34-30-28-33(29-31-34)36-19-12-20-40-39-18-6-10-26-48(39)56-50(36)40)32-47(55-52)41-21-13-25-45-51(41)57-49-27-11-9-24-44(49)53(45)42-22-7-4-16-37(42)38-17-5-8-23-43(38)53;1-3-16-35(17-4-1)37-20-13-22-39(32-37)48-34-49(55-52(54-48)40-23-14-21-38(33-40)36-18-5-2-6-19-36)43-26-15-30-47-51(43)56-50-31-12-11-29-46(50)53(47)44-27-9-7-24-41(44)42-25-8-10-28-45(42)53;1-49(2)38-21-9-6-17-33(38)36-28-27-32(29-43(36)49)44-30-45(52-48(51-44)31-15-4-3-5-16-31)37-20-14-25-42-47(37)53-46-26-13-12-24-41(46)50(42)39-22-10-7-18-34(39)35-19-8-11-23-40(35)50;1-2-14-32(15-3-1)48-50-44(34-27-28-36-33(29-34)26-25-31-13-4-5-16-35(31)36)30-45(51-48)39-19-12-23-43-47(39)52-46-24-11-10-22-42(46)49(43)40-20-8-6-17-37(40)38-18-7-9-21-41(38)49;1-2-13-31(14-3-1)47-49-42(34-27-32-17-10-15-30-16-11-18-33(28-34)45(30)32)29-43(50-47)37-21-12-25-41-46(37)51-44-26-9-8-24-40(44)48(41)38-22-6-4-19-35(38)36-20-5-7-23-39(36)48;1-3-14-32(15-4-1)42-30-43(49-46(48-42)34-16-5-2-6-17-34)33-28-26-31(27-29-33)35-20-13-24-41-45(35)50-44-25-12-11-23-40(44)47(41)38-21-9-7-18-36(38)37-19-8-10-22-39(37)47/h1-32H;1-34H;3-30H,1-2H3;1-30H;1-15,17-29H,16H2;1-30H.
What are the key properties of 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?
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 has a molecular weight of 4074.90 g/mol, XLogP of 74.58, 22 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-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 is sourced from PubChem (CID 160597511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).