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

C367H234N12O — CID 159973968

IUPAC4-[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
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc4c5ccccc5c5cc(-c6cccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)c6)ccc5c34)cc21.c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)c4ccccc4c4cccc(-c6ccc7c(c6)-c6ccccc6C7(c6ccccc6)c6ccccc6)c45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)c4ccccc4c4cccc(-c6ccc7c(c6)-c6ccccc6C76c7ccccc7-c7ccccc76)c45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)c4ccccc4c4cccc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)c4ccccc4c4cccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)c45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)c4ccccc4c4cccc(-c6ccc7c(c6)oc6ccccc67)c45)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/2C65H40N2.2C65H42N2.C55H38N2.C52H32N2O/c1-3-17-41(18-4-1)61-40-62(67-64(66-61)42-19-5-2-6-20-42)46-22-15-21-43(37-46)44-33-36-55-56(38-44)49-24-8-7-23-48(49)54-29-16-28-47(63(54)55)45-34-35-53-52-27-11-14-32-59(52)65(60(53)39-45)57-30-12-9-25-50(57)51-26-10-13-31-58(51)65;1-3-17-41(18-4-1)61-40-62(67-64(66-61)42-19-5-2-6-20-42)46-22-15-21-43(37-46)44-33-35-54-55(38-44)49-24-8-7-23-48(49)53-29-16-28-47(63(53)54)45-34-36-60-56(39-45)52-27-11-14-32-59(52)65(60)57-30-12-9-25-50(57)51-26-10-13-31-58(51)65;1-5-19-43(20-6-1)61-42-62(67-64(66-61)44-21-7-2-8-22-44)48-24-17-23-45(39-48)46-35-38-57-58(40-46)53-30-14-13-29-52(53)56-33-18-32-51(63(56)57)47-36-37-55-54-31-15-16-34-59(54)65(60(55)41-47,49-25-9-3-10-26-49)50-27-11-4-12-28-50;1-5-19-43(20-6-1)61-42-62(67-64(66-61)44-21-7-2-8-22-44)48-24-17-23-45(39-48)46-35-37-56-57(40-46)53-30-14-13-29-52(53)55-33-18-32-51(63(55)56)47-36-38-60-58(41-47)54-31-15-16-34-59(54)65(60,49-25-9-3-10-26-49)50-27-11-4-12-28-50;1-55(2)49-26-12-11-23-44(49)45-29-28-39(33-50(45)55)41-24-14-25-46-42-21-9-10-22-43(42)48-32-38(27-30-47(48)53(41)46)37-19-13-20-40(31-37)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)38-18-11-17-35(29-38)36-25-28-45-46(30-36)41-20-8-7-19-40(41)44-23-12-22-39(51(44)45)37-26-27-43-42-21-9-10-24-49(42)55-50(43)31-37/h2*1-40H;2*1-42H;3-34H,1-2H3;1-32H
InChIKeyOEXKVTKTBQAAGA-UHFFFAOYSA-N
MW4827.99 g/mol
LogP95.25
Rot. Bonds34

About 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

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 (PubChem CID 159973968) has the molecular formula C367H234N12O and a molecular weight of 4827.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID159973968
Molecular FormulaC367H234N12O
Molecular Weight4827.99 g/mol
Exact Mass4823.86
IUPAC Name4-[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
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc4c5ccccc5c5cc(-c6cccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)c6)ccc5c34)cc21.c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)c4ccccc4c4cccc(-c6ccc7c(c6)-c6ccccc6C7(c6ccccc6)c6ccccc6)c45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)c4ccccc4c4cccc(-c6ccc7c(c6)-c6ccccc6C76c7ccccc7-c7ccccc76)c45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)c4ccccc4c4cccc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)c4ccccc4c4cccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)c45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)c4ccccc4c4cccc(-c6ccc7c(c6)oc6ccccc67)c45)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/2C65H40N2.2C65H42N2.C55H38N2.C52H32N2O/c1-3-17-41(18-4-1)61-40-62(67-64(66-61)42-19-5-2-6-20-42)46-22-15-21-43(37-46)44-33-36-55-56(38-44)49-24-8-7-23-48(49)54-29-16-28-47(63(54)55)45-34-35-53-52-27-11-14-32-59(52)65(60(53)39-45)57-30-12-9-25-50(57)51-26-10-13-31-58(51)65;1-3-17-41(18-4-1)61-40-62(67-64(66-61)42-19-5-2-6-20-42)46-22-15-21-43(37-46)44-33-35-54-55(38-44)49-24-8-7-23-48(49)53-29-16-28-47(63(53)54)45-34-36-60-56(39-45)52-27-11-14-32-59(52)65(60)57-30-12-9-25-50(57)51-26-10-13-31-58(51)65;1-5-19-43(20-6-1)61-42-62(67-64(66-61)44-21-7-2-8-22-44)48-24-17-23-45(39-48)46-35-38-57-58(40-46)53-30-14-13-29-52(53)56-33-18-32-51(63(56)57)47-36-37-55-54-31-15-16-34-59(54)65(60(55)41-47,49-25-9-3-10-26-49)50-27-11-4-12-28-50;1-5-19-43(20-6-1)61-42-62(67-64(66-61)44-21-7-2-8-22-44)48-24-17-23-45(39-48)46-35-37-56-57(40-46)53-30-14-13-29-52(53)55-33-18-32-51(63(55)56)47-36-38-60-58(41-47)54-31-15-16-34-59(54)65(60,49-25-9-3-10-26-49)50-27-11-4-12-28-50;1-55(2)49-26-12-11-23-44(49)45-29-28-39(33-50(45)55)41-24-14-25-46-42-21-9-10-22-43(42)48-32-38(27-30-47(48)53(41)46)37-19-13-20-40(31-37)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)38-18-11-17-35(29-38)36-25-28-45-46(30-36)41-20-8-7-19-40(41)44-23-12-22-39(51(44)45)37-26-27-43-42-21-9-10-24-49(42)55-50(43)31-37/h2*1-40H;2*1-42H;3-34H,1-2H3;1-32H
InChIKeyOEXKVTKTBQAAGA-UHFFFAOYSA-N
XLogP95.25
TPSA167.82 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds34
Heavy Atoms380
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004827.99
LogP ≤ 595.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Related Compounds

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
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
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-[3-[5-(9,9-diphenylfluoren-2-yl)triphenylen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 138600177
4-[3-[5-(9,9-dimethylfluoren-3-yl)triphenylen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 138599973
4-dibenzofuran-3-yl-6-[3-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 154950195
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
2-dibenzofuran-2-yl-4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 165029905
4-(2-dibenzofuran-3-ylphenyl)-6-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171601905
2-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]-4,6-diphenylpyridine;2-[5-(9,9-diphenylfluoren-2-yl)triphenylen-2-yl]-4,6-diphenylpyridine;2,4-diphenyl-6-[5-(9,9'-spirobi[fluorene]-2-yl)triphenylen-2-yl]pyridine
CID 157474525
4-[4-(4-dibenzofuran-3-ylnaphthalen-1-yl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603662
4-dibenzofuran-3-yl-6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-2-phenylpyrimidine
CID 146495521

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(-c3cccc4c5ccccc5c5cc(-c6cccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)c6)ccc5c34)cc21.c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)c4ccccc4c4cccc(-c6ccc7c(c6)-c6ccccc6C7(c6ccccc6)c6ccccc6)c45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)c4ccccc4c4cccc(-c6ccc7c(c6)-c6ccccc6C76c7ccccc7-c7ccccc76)c45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)c4ccccc4c4cccc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)c4ccccc4c4cccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)c45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)c4ccccc4c4cccc(-c6ccc7c(c6)oc6ccccc67)c45)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is OEXKVTKTBQAAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C65H40N2.2C65H42N2.C55H38N2.C52H32N2O/c1-3-17-41(18-4-1)61-40-62(67-64(66-61)42-19-5-2-6-20-42)46-22-15-21-43(37-46)44-33-36-55-56(38-44)49-24-8-7-23-48(49)54-29-16-28-47(63(54)55)45-34-35-53-52-27-11-14-32-59(52)65(60(53)39-45)57-30-12-9-25-50(57)51-26-10-13-31-58(51)65;1-3-17-41(18-4-1)61-40-62(67-64(66-61)42-19-5-2-6-20-42)46-22-15-21-43(37-46)44-33-35-54-55(38-44)49-24-8-7-23-48(49)53-29-16-28-47(63(53)54)45-34-36-60-56(39-45)52-27-11-14-32-59(52)65(60)57-30-12-9-25-50(57)51-26-10-13-31-58(51)65;1-5-19-43(20-6-1)61-42-62(67-64(66-61)44-21-7-2-8-22-44)48-24-17-23-45(39-48)46-35-38-57-58(40-46)53-30-14-13-29-52(53)56-33-18-32-51(63(56)57)47-36-37-55-54-31-15-16-34-59(54)65(60(55)41-47,49-25-9-3-10-26-49)50-27-11-4-12-28-50;1-5-19-43(20-6-1)61-42-62(67-64(66-61)44-21-7-2-8-22-44)48-24-17-23-45(39-48)46-35-37-56-57(40-46)53-30-14-13-29-52(53)55-33-18-32-51(63(55)56)47-36-38-60-58(41-47)54-31-15-16-34-59(54)65(60,49-25-9-3-10-26-49)50-27-11-4-12-28-50;1-55(2)49-26-12-11-23-44(49)45-29-28-39(33-50(45)55)41-24-14-25-46-42-21-9-10-22-43(42)48-32-38(27-30-47(48)53(41)46)37-19-13-20-40(31-37)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)38-18-11-17-35(29-38)36-25-28-45-46(30-36)41-20-8-7-19-40(41)44-23-12-22-39(51(44)45)37-26-27-43-42-21-9-10-24-49(42)55-50(43)31-37/h2*1-40H;2*1-42H;3-34H,1-2H3;1-32H.
What are the key properties of 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?
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 has a molecular weight of 4827.99 g/mol, XLogP of 95.25, 34 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159973968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).