2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine

C306H190F2N12S12 — CID 159701489

IUPAC2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4cc(-c5ccc6sc7ccccc7c6c5)cc(-c5ccc6sc7ccccc7c6c5)c4)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4cc(-c5cccc6c5sc5ccccc56)cc(-c5cccc6c5sc5ccccc56)c4)n3)cc21.Fc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)n2)cc1.Fc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cc(-c5ccc6sc7ccccc7c6c5)cc(-c5ccc6sc7ccccc7c6c5)c4)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cc(-c5cccc6c5sc5ccccc56)cc(-c5cccc6c5sc5ccccc56)c4)n3)c2)cc1
InChIInChI=1S/2C55H36N2S2.2C52H32N2S2.2C46H27FN2S2/c1-55(2)46-23-9-6-16-40(46)41-27-26-34(31-47(41)55)49-32-48(33-14-4-3-5-15-33)56-54(57-49)37-29-35(38-19-12-21-44-42-17-7-10-24-50(42)58-52(38)44)28-36(30-37)39-20-13-22-45-43-18-8-11-25-51(43)59-53(39)45;1-55(2)46-17-9-6-14-40(46)41-23-20-36(31-47(41)55)49-32-48(33-12-4-3-5-13-33)56-54(57-49)39-27-37(34-21-24-52-44(29-34)42-15-7-10-18-50(42)58-52)26-38(28-39)35-22-25-53-45(30-35)43-16-8-11-19-51(43)59-53;1-3-14-33(15-4-1)35-18-11-19-36(28-35)47-32-46(34-16-5-2-6-17-34)53-52(54-47)39-30-37(40-22-12-24-44-42-20-7-9-26-48(42)55-50(40)44)29-38(31-39)41-23-13-25-45-43-21-8-10-27-49(43)56-51(41)45;1-3-12-33(13-4-1)35-16-11-17-38(26-35)47-32-46(34-14-5-2-6-15-34)53-52(54-47)41-28-39(36-22-24-50-44(30-36)42-18-7-9-20-48(42)55-50)27-40(29-41)37-23-25-51-45(31-37)43-19-8-10-21-49(43)56-51;47-33-22-20-29(21-23-33)41-27-40(28-10-2-1-3-11-28)48-46(49-41)32-25-30(34-14-8-16-38-36-12-4-6-18-42(36)50-44(34)38)24-31(26-32)35-15-9-17-39-37-13-5-7-19-43(37)51-45(35)39;47-35-18-14-29(15-19-35)41-27-40(28-8-2-1-3-9-28)48-46(49-41)34-23-32(30-16-20-44-38(25-30)36-10-4-6-12-42(36)50-44)22-33(24-34)31-17-21-45-39(26-31)37-11-5-7-13-43(37)51-45/h2*3-32H,1-2H3;2*1-32H;2*1-27H
InChIKeyMXRHALDMBJHEJV-UHFFFAOYSA-N
MW4457.77 g/mol
LogP89.51
Rot. Bonds32

About 2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine

2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine (PubChem CID 159701489) has the molecular formula C306H190F2N12S12 and a molecular weight of 4457.77 g/mol. Its IUPAC name is 2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine
PubChem CID159701489
Molecular FormulaC306H190F2N12S12
Molecular Weight4457.77 g/mol
Exact Mass4453.19
IUPAC Name2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4cc(-c5ccc6sc7ccccc7c6c5)cc(-c5ccc6sc7ccccc7c6c5)c4)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4cc(-c5cccc6c5sc5ccccc56)cc(-c5cccc6c5sc5ccccc56)c4)n3)cc21.Fc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)n2)cc1.Fc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cc(-c5ccc6sc7ccccc7c6c5)cc(-c5ccc6sc7ccccc7c6c5)c4)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cc(-c5cccc6c5sc5ccccc56)cc(-c5cccc6c5sc5ccccc56)c4)n3)c2)cc1
InChIInChI=1S/2C55H36N2S2.2C52H32N2S2.2C46H27FN2S2/c1-55(2)46-23-9-6-16-40(46)41-27-26-34(31-47(41)55)49-32-48(33-14-4-3-5-15-33)56-54(57-49)37-29-35(38-19-12-21-44-42-17-7-10-24-50(42)58-52(38)44)28-36(30-37)39-20-13-22-45-43-18-8-11-25-51(43)59-53(39)45;1-55(2)46-17-9-6-14-40(46)41-23-20-36(31-47(41)55)49-32-48(33-12-4-3-5-13-33)56-54(57-49)39-27-37(34-21-24-52-44(29-34)42-15-7-10-18-50(42)58-52)26-38(28-39)35-22-25-53-45(30-35)43-16-8-11-19-51(43)59-53;1-3-14-33(15-4-1)35-18-11-19-36(28-35)47-32-46(34-16-5-2-6-17-34)53-52(54-47)39-30-37(40-22-12-24-44-42-20-7-9-26-48(42)55-50(40)44)29-38(31-39)41-23-13-25-45-43-21-8-10-27-49(43)56-51(41)45;1-3-12-33(13-4-1)35-16-11-17-38(26-35)47-32-46(34-14-5-2-6-15-34)53-52(54-47)41-28-39(36-22-24-50-44(30-36)42-18-7-9-20-48(42)55-50)27-40(29-41)37-23-25-51-45(31-37)43-19-8-10-21-49(43)56-51;47-33-22-20-29(21-23-33)41-27-40(28-10-2-1-3-11-28)48-46(49-41)32-25-30(34-14-8-16-38-36-12-4-6-18-42(36)50-44(34)38)24-31(26-32)35-15-9-17-39-37-13-5-7-19-43(37)51-45(35)39;47-35-18-14-29(15-19-35)41-27-40(28-8-2-1-3-9-28)48-46(49-41)34-23-32(30-16-20-44-38(25-30)36-10-4-6-12-42(36)50-44)22-33(24-34)31-17-21-45-39(26-31)37-11-5-7-13-43(37)51-45/h2*3-32H,1-2H3;2*1-32H;2*1-27H
InChIKeyMXRHALDMBJHEJV-UHFFFAOYSA-N
XLogP89.51
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds32
Heavy Atoms332
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004457.77
LogP ≤ 589.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine with MolForge

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Related Compounds

2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(4-fluorophenyl)-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(4-fluorophenyl)-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 161317549
4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzothiophen-4-ylphenyl)-6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 157448144
4-(4-dibenzothiophen-2-ylphenyl)-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-4-ylphenyl)-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 158660476
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;bis(2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine);bis(2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine)
CID 160935440
4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584152
4-[3-dibenzothiophen-2-yl-5-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585075
4-[3-dibenzothiophen-2-yl-5-(3-phenylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine
CID 171582951
4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585529
4-[4-(7-dibenzothiophen-4-ylphenanthren-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine;4-[6-(3-dibenzothiophen-2-ylphenyl)naphthalen-2-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine
CID 160527853
2-(3-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 158464749
4-[3-dibenzothiophen-2-yl-5-(2-phenylphenyl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585198
4,6-bis[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine
CID 158309232

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine?
The IUPAC name of 2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine (CID 159701489) is 2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine.
What is the SMILES notation for 2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine?
The canonical SMILES for 2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4cc(-c5ccc6sc7ccccc7c6c5)cc(-c5ccc6sc7ccccc7c6c5)c4)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4cc(-c5cccc6c5sc5ccccc56)cc(-c5cccc6c5sc5ccccc56)c4)n3)cc21.Fc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)n2)cc1.Fc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cc(-c5ccc6sc7ccccc7c6c5)cc(-c5ccc6sc7ccccc7c6c5)c4)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cc(-c5cccc6c5sc5ccccc56)cc(-c5cccc6c5sc5ccccc56)c4)n3)c2)cc1.
What is the InChIKey of 2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine?
The InChIKey is MXRHALDMBJHEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C55H36N2S2.2C52H32N2S2.2C46H27FN2S2/c1-55(2)46-23-9-6-16-40(46)41-27-26-34(31-47(41)55)49-32-48(33-14-4-3-5-15-33)56-54(57-49)37-29-35(38-19-12-21-44-42-17-7-10-24-50(42)58-52(38)44)28-36(30-37)39-20-13-22-45-43-18-8-11-25-51(43)59-53(39)45;1-55(2)46-17-9-6-14-40(46)41-23-20-36(31-47(41)55)49-32-48(33-12-4-3-5-13-33)56-54(57-49)39-27-37(34-21-24-52-44(29-34)42-15-7-10-18-50(42)58-52)26-38(28-39)35-22-25-53-45(30-35)43-16-8-11-19-51(43)59-53;1-3-14-33(15-4-1)35-18-11-19-36(28-35)47-32-46(34-16-5-2-6-17-34)53-52(54-47)39-30-37(40-22-12-24-44-42-20-7-9-26-48(42)55-50(40)44)29-38(31-39)41-23-13-25-45-43-21-8-10-27-49(43)56-51(41)45;1-3-12-33(13-4-1)35-16-11-17-38(26-35)47-32-46(34-14-5-2-6-15-34)53-52(54-47)41-28-39(36-22-24-50-44(30-36)42-18-7-9-20-48(42)55-50)27-40(29-41)37-23-25-51-45(31-37)43-19-8-10-21-49(43)56-51;47-33-22-20-29(21-23-33)41-27-40(28-10-2-1-3-11-28)48-46(49-41)32-25-30(34-14-8-16-38-36-12-4-6-18-42(36)50-44(34)38)24-31(26-32)35-15-9-17-39-37-13-5-7-19-43(37)51-45(35)39;47-35-18-14-29(15-19-35)41-27-40(28-8-2-1-3-9-28)48-46(49-41)34-23-32(30-16-20-44-38(25-30)36-10-4-6-12-42(36)50-44)22-33(24-34)31-17-21-45-39(26-31)37-11-5-7-13-43(37)51-45/h2*3-32H,1-2H3;2*1-32H;2*1-27H.
What are the key properties of 2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine?
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine has a molecular weight of 4457.77 g/mol, XLogP of 89.51, 32 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine is sourced from PubChem (CID 159701489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).