4-[3-(10-dibenzofuran-2-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzofuran-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzothiophen-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-[10-(9,9-dimethylfluoren-3-yl)triphenylen-1-yl]phenyl]-2,6-diphenylpyrimidine;3-[3-[10-(9,9-diphenylfluoren-3-yl)triphenylen-1-yl]phenyl]-1,5-diphenylpyrazin-1-ium;2,4-diphenyl-6-[3-[10-(9,9'-spirobi[fluorene]-3-yl)triphenylen-1-yl]phenyl]pyrimidine

C341H217N12O2S+ — CID 158034989

IUPAC4-[3-(10-dibenzofuran-2-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzofuran-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzothiophen-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-[10-(9,9-dimethylfluoren-3-yl)triphenylen-1-yl]phenyl]-2,6-diphenylpyrimidine;3-[3-[10-(9,9-diphenylfluoren-3-yl)triphenylen-1-yl]phenyl]-1,5-diphenylpyrazin-1-ium;2,4-diphenyl-6-[3-[10-(9,9'-spirobi[fluorene]-3-yl)triphenylen-1-yl]phenyl]pyrimidine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3c3cccc(-c5cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c34)ccc21.c1ccc(-c2c[n+](-c3ccccc3)cc(-c3cccc(-c4cccc5c6ccccc6c6cc(-c7ccc8c(c7)-c7ccccc7C8(c7ccccc7)c7ccccc7)ccc6c45)c3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc5c6ccccc6c6cc(-c7ccc8c(c7)-c7ccccc7C87c8ccccc8-c8ccccc87)ccc6c45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc5c6ccccc6c6cc(-c7ccc8c(c7)oc7ccccc78)ccc6c45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc5c6ccccc6c6cc(-c7ccc8c(c7)sc7ccccc78)ccc6c45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc6c45)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C65H40N2.C65H43N2.C55H38N2.2C52H32N2O.C52H32N2S/c1-3-17-41(18-4-1)61-40-62(67-64(66-61)42-19-5-2-6-20-42)46-22-15-21-45(37-46)47-28-16-29-53-48-23-7-8-24-49(48)55-38-43(33-35-54(55)63(47)53)44-34-36-60-56(39-44)52-27-11-14-32-59(52)65(60)57-30-12-9-25-50(57)51-26-10-13-31-58(51)65;1-5-19-44(20-6-1)62-42-67(51-27-11-4-12-28-51)43-63(66-62)48-22-17-21-47(39-48)52-32-18-33-56-53-29-13-14-30-54(53)58-40-45(35-37-57(58)64(52)56)46-36-38-61-59(41-46)55-31-15-16-34-60(55)65(61,49-23-7-2-8-24-49)50-25-9-3-10-26-50;1-55(2)49-26-12-11-23-44(49)48-33-38(28-30-50(48)55)37-27-29-46-47(32-37)43-22-10-9-21-42(43)45-25-14-24-41(53(45)46)39-19-13-20-40(31-39)52-34-51(35-15-5-3-6-16-35)56-54(57-52)36-17-7-4-8-18-36;1-3-13-33(14-4-1)47-32-48(54-52(53-47)34-15-5-2-6-16-34)38-18-11-17-37(29-38)39-22-12-23-44-40-19-7-8-20-41(40)46-30-35(26-28-45(46)51(39)44)36-25-27-43-42-21-9-10-24-49(42)55-50(43)31-36;1-3-13-33(14-4-1)47-32-48(54-52(53-47)34-15-5-2-6-16-34)38-18-11-17-37(29-38)39-22-12-23-43-40-19-7-8-20-41(40)45-30-35(25-27-44(45)51(39)43)36-26-28-50-46(31-36)42-21-9-10-24-49(42)55-50;1-3-13-33(14-4-1)47-32-48(54-52(53-47)34-15-5-2-6-16-34)38-18-11-17-37(29-38)39-22-12-23-44-40-19-7-8-20-41(40)46-30-35(26-28-45(46)51(39)44)36-25-27-43-42-21-9-10-24-49(42)55-50(43)31-36/h1-40H;1-43H;3-34H,1-2H3;3*1-32H/q;+1;;;;
InChIKeyXOLABLPPIJZMDT-UHFFFAOYSA-N
MW4546.64 g/mol
LogP90.02
Rot. Bonds32

About 4-[3-(10-dibenzofuran-2-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzofuran-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzothiophen-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-[10-(9,9-dimethylfluoren-3-yl)triphenylen-1-yl]phenyl]-2,6-diphenylpyrimidine;3-[3-[10-(9,9-diphenylfluoren-3-yl)triphenylen-1-yl]phenyl]-1,5-diphenylpyrazin-1-ium;2,4-diphenyl-6-[3-[10-(9,9'-spirobi[fluorene]-3-yl)triphenylen-1-yl]phenyl]pyrimidine

4-[3-(10-dibenzofuran-2-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzofuran-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzothiophen-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-[10-(9,9-dimethylfluoren-3-yl)triphenylen-1-yl]phenyl]-2,6-diphenylpyrimidine;3-[3-[10-(9,9-diphenylfluoren-3-yl)triphenylen-1-yl]phenyl]-1,5-diphenylpyrazin-1-ium;2,4-diphenyl-6-[3-[10-(9,9'-spirobi[fluorene]-3-yl)triphenylen-1-yl]phenyl]pyrimidine (PubChem CID 158034989) has the molecular formula C341H217N12O2S+ and a molecular weight of 4546.64 g/mol. Its IUPAC name is 4-[3-(10-dibenzofuran-2-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzofuran-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzothiophen-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-[10-(9,9-dimethylfluoren-3-yl)triphenylen-1-yl]phenyl]-2,6-diphenylpyrimidine;3-[3-[10-(9,9-diphenylfluoren-3-yl)triphenylen-1-yl]phenyl]-1,5-diphenylpyrazin-1-ium;2,4-diphenyl-6-[3-[10-(9,9'-spirobi[fluorene]-3-yl)triphenylen-1-yl]phenyl]pyrimidine.

Molecular Properties

Compound Name4-[3-(10-dibenzofuran-2-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzofuran-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzothiophen-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-[10-(9,9-dimethylfluoren-3-yl)triphenylen-1-yl]phenyl]-2,6-diphenylpyrimidine;3-[3-[10-(9,9-diphenylfluoren-3-yl)triphenylen-1-yl]phenyl]-1,5-diphenylpyrazin-1-ium;2,4-diphenyl-6-[3-[10-(9,9'-spirobi[fluorene]-3-yl)triphenylen-1-yl]phenyl]pyrimidine
PubChem CID158034989
Molecular FormulaC341H217N12O2S+
Molecular Weight4546.64 g/mol
Exact Mass4542.70
IUPAC Name4-[3-(10-dibenzofuran-2-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzofuran-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzothiophen-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-[10-(9,9-dimethylfluoren-3-yl)triphenylen-1-yl]phenyl]-2,6-diphenylpyrimidine;3-[3-[10-(9,9-diphenylfluoren-3-yl)triphenylen-1-yl]phenyl]-1,5-diphenylpyrazin-1-ium;2,4-diphenyl-6-[3-[10-(9,9'-spirobi[fluorene]-3-yl)triphenylen-1-yl]phenyl]pyrimidine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3c3cccc(-c5cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c34)ccc21.c1ccc(-c2c[n+](-c3ccccc3)cc(-c3cccc(-c4cccc5c6ccccc6c6cc(-c7ccc8c(c7)-c7ccccc7C8(c7ccccc7)c7ccccc7)ccc6c45)c3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc5c6ccccc6c6cc(-c7ccc8c(c7)-c7ccccc7C87c8ccccc8-c8ccccc87)ccc6c45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc5c6ccccc6c6cc(-c7ccc8c(c7)oc7ccccc78)ccc6c45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc5c6ccccc6c6cc(-c7ccc8c(c7)sc7ccccc78)ccc6c45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc6c45)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C65H40N2.C65H43N2.C55H38N2.2C52H32N2O.C52H32N2S/c1-3-17-41(18-4-1)61-40-62(67-64(66-61)42-19-5-2-6-20-42)46-22-15-21-45(37-46)47-28-16-29-53-48-23-7-8-24-49(48)55-38-43(33-35-54(55)63(47)53)44-34-36-60-56(39-44)52-27-11-14-32-59(52)65(60)57-30-12-9-25-50(57)51-26-10-13-31-58(51)65;1-5-19-44(20-6-1)62-42-67(51-27-11-4-12-28-51)43-63(66-62)48-22-17-21-47(39-48)52-32-18-33-56-53-29-13-14-30-54(53)58-40-45(35-37-57(58)64(52)56)46-36-38-61-59(41-46)55-31-15-16-34-60(55)65(61,49-23-7-2-8-24-49)50-25-9-3-10-26-50;1-55(2)49-26-12-11-23-44(49)48-33-38(28-30-50(48)55)37-27-29-46-47(32-37)43-22-10-9-21-42(43)45-25-14-24-41(53(45)46)39-19-13-20-40(31-39)52-34-51(35-15-5-3-6-16-35)56-54(57-52)36-17-7-4-8-18-36;1-3-13-33(14-4-1)47-32-48(54-52(53-47)34-15-5-2-6-16-34)38-18-11-17-37(29-38)39-22-12-23-44-40-19-7-8-20-41(40)46-30-35(26-28-45(46)51(39)44)36-25-27-43-42-21-9-10-24-49(42)55-50(43)31-36;1-3-13-33(14-4-1)47-32-48(54-52(53-47)34-15-5-2-6-16-34)38-18-11-17-37(29-38)39-22-12-23-43-40-19-7-8-20-41(40)45-30-35(25-27-44(45)51(39)43)36-26-28-50-46(31-36)42-21-9-10-24-49(42)55-50;1-3-13-33(14-4-1)47-32-48(54-52(53-47)34-15-5-2-6-16-34)38-18-11-17-37(29-38)39-22-12-23-44-40-19-7-8-20-41(40)46-30-35(26-28-45(46)51(39)44)36-25-27-43-42-21-9-10-24-49(42)55-50(43)31-36/h1-40H;1-43H;3-34H,1-2H3;3*1-32H/q;+1;;;;
InChIKeyXOLABLPPIJZMDT-UHFFFAOYSA-N
XLogP90.02
TPSA171.95 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds32
Heavy Atoms356
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004546.64
LogP ≤ 590.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 4-[3-(10-dibenzofuran-2-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzofuran-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzothiophen-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-[10-(9,9-dimethylfluoren-3-yl)triphenylen-1-yl]phenyl]-2,6-diphenylpyrimidine;3-[3-[10-(9,9-diphenylfluoren-3-yl)triphenylen-1-yl]phenyl]-1,5-diphenylpyrazin-1-ium;2,4-diphenyl-6-[3-[10-(9,9'-spirobi[fluorene]-3-yl)triphenylen-1-yl]phenyl]pyrimidine with MolForge

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Related Compounds

4-[3-(5-dibenzofuran-3-yltriphenylen-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]phenyl]-2,6-diphenylpyrimidine;4-[3-[5-(9,9-diphenylfluoren-2-yl)triphenylen-2-yl]phenyl]-2,6-diphenylpyrimidine;4-[3-[5-(9,9-diphenylfluoren-3-yl)triphenylen-2-yl]phenyl]-2,6-diphenylpyrimidine;2,4-diphenyl-6-[3-[5-(9,9'-spirobi[fluorene]-2-yl)triphenylen-2-yl]phenyl]pyrimidine;2,4-diphenyl-6-[3-[5-(9,9'-spirobi[fluorene]-3-yl)triphenylen-2-yl]phenyl]pyrimidine
CID 159973968
4-(5-dibenzofuran-2-yltriphenylen-2-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-dimethylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-diphenylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 160704637
2-(5-dibenzofuran-3-yltriphenylen-2-yl)-4,6-diphenylpyridine;2-[5-(9,9-diphenylfluoren-3-yl)triphenylen-2-yl]-4,6-diphenylpyridine;2,4-diphenyl-6-[5-(9,9'-spirobi[fluorene]-3-yl)triphenylen-2-yl]pyridine
CID 158138584
4-(10-dibenzofuran-2-yltriphenylen-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(10-dibenzothiophen-3-yltriphenylen-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[10-(9,9-dimethylfluoren-3-yl)triphenylen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[10-(9,9-diphenylfluoren-3-yl)triphenylen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;9-naphthalen-2-yl-2-[5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]triphenylen-2-yl]carbazole;9-phenyl-2-[5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]triphenylen-2-yl]carbazole
CID 157221259
4-[5-(9,9-dimethylfluoren-3-yl)triphenylen-2-yl]-2,6-diphenylpyridine;4-[5-(9,9-diphenylfluoren-3-yl)triphenylen-2-yl]-2,6-diphenylpyridine;2,6-diphenyl-4-[5-(9,9'-spirobi[fluorene]-3-yl)triphenylen-2-yl]pyridine
CID 158530956
4-dibenzofuran-3-yl-6-[3-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 154950195
2-(10-dibenzofuran-2-yltriphenylen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(10-dibenzofuran-3-yltriphenylen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(10-dibenzothiophen-2-yltriphenylen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(10-dibenzothiophen-3-yltriphenylen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[10-(9,9-diphenylfluoren-3-yl)triphenylen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;9-phenyl-3-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]triphenylen-2-yl]carbazole
CID 157231984
2-dibenzofuran-2-yl-4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 165059295
2-dibenzofuran-3-yl-4-[3-[7-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine
CID 167177443
4-[3-dibenzofuran-2-yl-5-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 171582716
CID 166996017
CID 166996017
4-[3-[5-(9,9-dimethylfluoren-3-yl)triphenylen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 138599973

Frequently Asked Questions

What is the IUPAC name of 4-[3-(10-dibenzofuran-2-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzofuran-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzothiophen-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-[10-(9,9-dimethylfluoren-3-yl)triphenylen-1-yl]phenyl]-2,6-diphenylpyrimidine;3-[3-[10-(9,9-diphenylfluoren-3-yl)triphenylen-1-yl]phenyl]-1,5-diphenylpyrazin-1-ium;2,4-diphenyl-6-[3-[10-(9,9'-spirobi[fluorene]-3-yl)triphenylen-1-yl]phenyl]pyrimidine?
The IUPAC name of 4-[3-(10-dibenzofuran-2-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzofuran-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzothiophen-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-[10-(9,9-dimethylfluoren-3-yl)triphenylen-1-yl]phenyl]-2,6-diphenylpyrimidine;3-[3-[10-(9,9-diphenylfluoren-3-yl)triphenylen-1-yl]phenyl]-1,5-diphenylpyrazin-1-ium;2,4-diphenyl-6-[3-[10-(9,9'-spirobi[fluorene]-3-yl)triphenylen-1-yl]phenyl]pyrimidine (CID 158034989) is 4-[3-(10-dibenzofuran-2-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzofuran-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzothiophen-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-[10-(9,9-dimethylfluoren-3-yl)triphenylen-1-yl]phenyl]-2,6-diphenylpyrimidine;3-[3-[10-(9,9-diphenylfluoren-3-yl)triphenylen-1-yl]phenyl]-1,5-diphenylpyrazin-1-ium;2,4-diphenyl-6-[3-[10-(9,9'-spirobi[fluorene]-3-yl)triphenylen-1-yl]phenyl]pyrimidine.
What is the SMILES notation for 4-[3-(10-dibenzofuran-2-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzofuran-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzothiophen-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-[10-(9,9-dimethylfluoren-3-yl)triphenylen-1-yl]phenyl]-2,6-diphenylpyrimidine;3-[3-[10-(9,9-diphenylfluoren-3-yl)triphenylen-1-yl]phenyl]-1,5-diphenylpyrazin-1-ium;2,4-diphenyl-6-[3-[10-(9,9'-spirobi[fluorene]-3-yl)triphenylen-1-yl]phenyl]pyrimidine?
The canonical SMILES for 4-[3-(10-dibenzofuran-2-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzofuran-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzothiophen-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-[10-(9,9-dimethylfluoren-3-yl)triphenylen-1-yl]phenyl]-2,6-diphenylpyrimidine;3-[3-[10-(9,9-diphenylfluoren-3-yl)triphenylen-1-yl]phenyl]-1,5-diphenylpyrazin-1-ium;2,4-diphenyl-6-[3-[10-(9,9'-spirobi[fluorene]-3-yl)triphenylen-1-yl]phenyl]pyrimidine is CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3c3cccc(-c5cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c34)ccc21.c1ccc(-c2c[n+](-c3ccccc3)cc(-c3cccc(-c4cccc5c6ccccc6c6cc(-c7ccc8c(c7)-c7ccccc7C8(c7ccccc7)c7ccccc7)ccc6c45)c3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc5c6ccccc6c6cc(-c7ccc8c(c7)-c7ccccc7C87c8ccccc8-c8ccccc87)ccc6c45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc5c6ccccc6c6cc(-c7ccc8c(c7)oc7ccccc78)ccc6c45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc5c6ccccc6c6cc(-c7ccc8c(c7)sc7ccccc78)ccc6c45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc6c45)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[3-(10-dibenzofuran-2-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzofuran-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzothiophen-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-[10-(9,9-dimethylfluoren-3-yl)triphenylen-1-yl]phenyl]-2,6-diphenylpyrimidine;3-[3-[10-(9,9-diphenylfluoren-3-yl)triphenylen-1-yl]phenyl]-1,5-diphenylpyrazin-1-ium;2,4-diphenyl-6-[3-[10-(9,9'-spirobi[fluorene]-3-yl)triphenylen-1-yl]phenyl]pyrimidine?
The InChIKey is XOLABLPPIJZMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H40N2.C65H43N2.C55H38N2.2C52H32N2O.C52H32N2S/c1-3-17-41(18-4-1)61-40-62(67-64(66-61)42-19-5-2-6-20-42)46-22-15-21-45(37-46)47-28-16-29-53-48-23-7-8-24-49(48)55-38-43(33-35-54(55)63(47)53)44-34-36-60-56(39-44)52-27-11-14-32-59(52)65(60)57-30-12-9-25-50(57)51-26-10-13-31-58(51)65;1-5-19-44(20-6-1)62-42-67(51-27-11-4-12-28-51)43-63(66-62)48-22-17-21-47(39-48)52-32-18-33-56-53-29-13-14-30-54(53)58-40-45(35-37-57(58)64(52)56)46-36-38-61-59(41-46)55-31-15-16-34-60(55)65(61,49-23-7-2-8-24-49)50-25-9-3-10-26-50;1-55(2)49-26-12-11-23-44(49)48-33-38(28-30-50(48)55)37-27-29-46-47(32-37)43-22-10-9-21-42(43)45-25-14-24-41(53(45)46)39-19-13-20-40(31-39)52-34-51(35-15-5-3-6-16-35)56-54(57-52)36-17-7-4-8-18-36;1-3-13-33(14-4-1)47-32-48(54-52(53-47)34-15-5-2-6-16-34)38-18-11-17-37(29-38)39-22-12-23-44-40-19-7-8-20-41(40)46-30-35(26-28-45(46)51(39)44)36-25-27-43-42-21-9-10-24-49(42)55-50(43)31-36;1-3-13-33(14-4-1)47-32-48(54-52(53-47)34-15-5-2-6-16-34)38-18-11-17-37(29-38)39-22-12-23-43-40-19-7-8-20-41(40)45-30-35(25-27-44(45)51(39)43)36-26-28-50-46(31-36)42-21-9-10-24-49(42)55-50;1-3-13-33(14-4-1)47-32-48(54-52(53-47)34-15-5-2-6-16-34)38-18-11-17-37(29-38)39-22-12-23-44-40-19-7-8-20-41(40)46-30-35(26-28-45(46)51(39)44)36-25-27-43-42-21-9-10-24-49(42)55-50(43)31-36/h1-40H;1-43H;3-34H,1-2H3;3*1-32H/q;+1;;;;.
What are the key properties of 4-[3-(10-dibenzofuran-2-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzofuran-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzothiophen-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-[10-(9,9-dimethylfluoren-3-yl)triphenylen-1-yl]phenyl]-2,6-diphenylpyrimidine;3-[3-[10-(9,9-diphenylfluoren-3-yl)triphenylen-1-yl]phenyl]-1,5-diphenylpyrazin-1-ium;2,4-diphenyl-6-[3-[10-(9,9'-spirobi[fluorene]-3-yl)triphenylen-1-yl]phenyl]pyrimidine?
4-[3-(10-dibenzofuran-2-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzofuran-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzothiophen-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-[10-(9,9-dimethylfluoren-3-yl)triphenylen-1-yl]phenyl]-2,6-diphenylpyrimidine;3-[3-[10-(9,9-diphenylfluoren-3-yl)triphenylen-1-yl]phenyl]-1,5-diphenylpyrazin-1-ium;2,4-diphenyl-6-[3-[10-(9,9'-spirobi[fluorene]-3-yl)triphenylen-1-yl]phenyl]pyrimidine has a molecular weight of 4546.64 g/mol, XLogP of 90.02, 32 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(10-dibenzofuran-2-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzofuran-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzothiophen-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-[10-(9,9-dimethylfluoren-3-yl)triphenylen-1-yl]phenyl]-2,6-diphenylpyrimidine;3-[3-[10-(9,9-diphenylfluoren-3-yl)triphenylen-1-yl]phenyl]-1,5-diphenylpyrazin-1-ium;2,4-diphenyl-6-[3-[10-(9,9'-spirobi[fluorene]-3-yl)triphenylen-1-yl]phenyl]pyrimidine is sourced from PubChem (CID 158034989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).