2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-[1,3]oxazolo[5,4-f][1,10]phenanthroline;2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole;3-[4-phenyl-6-[3-(1-phenylbenzimidazol-2-yl)-5-(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]pyrimidin-2-yl]quinoline

C179H109N25O — CID 159316411

IUPAC2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-[1,3]oxazolo[5,4-f][1,10]phenanthroline;2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole;3-[4-phenyl-6-[3-(1-phenylbenzimidazol-2-yl)-5-(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]pyrimidin-2-yl]quinoline
SMILESc1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5cnc6ccccc6c5)n4)cc(-c4nc5c6ccccc6c6ccccc6c5n4-c4ccccc4)c3)nc(-c3cnc4ccccc4c3)n2)cc1.c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5cnc6ccccc6c5)n4)cc(-c4nc5c6cccnc6c6ncccc6c5o4)c3)nc(-c3cnc4ccccc4c3)n2)cc1.c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5cnc6ccccc6c5)n4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)nc(-c3cnc4ccccc4c3)n2)cc1
InChIInChI=1S/C65H40N8.C57H33N9O.C57H36N8/c1-4-18-41(19-5-1)57-37-59(70-63(68-57)48-32-43-22-10-16-30-55(43)66-39-48)45-34-46(60-38-58(42-20-6-2-7-21-42)69-64(71-60)49-33-44-23-11-17-31-56(44)67-40-49)36-47(35-45)65-72-61-53-28-14-12-26-51(53)52-27-13-15-29-54(52)62(61)73(65)50-24-8-3-9-25-50;1-3-13-34(14-4-1)47-30-49(64-55(62-47)41-25-36-17-7-9-21-45(36)60-32-41)38-27-39(29-40(28-38)57-66-53-43-19-11-23-58-51(43)52-44(54(53)67-57)20-12-24-59-52)50-31-48(35-15-5-2-6-16-35)63-56(65-50)42-26-37-18-8-10-22-46(37)61-33-42;1-4-16-37(17-5-1)50-33-52(62-55(60-50)44-28-39-20-10-12-24-47(39)58-35-44)41-30-42(32-43(31-41)57-64-49-26-14-15-27-54(49)65(57)46-22-8-3-9-23-46)53-34-51(38-18-6-2-7-19-38)61-56(63-53)45-29-40-21-11-13-25-48(40)59-36-45/h1-40H;1-33H;1-36H
InChIKeyLDEQCSHKPBTVIK-UHFFFAOYSA-N
MW2626.01 g/mol
LogP42.32
Rot. Bonds23

About 2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-[1,3]oxazolo[5,4-f][1,10]phenanthroline;2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole;3-[4-phenyl-6-[3-(1-phenylbenzimidazol-2-yl)-5-(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]pyrimidin-2-yl]quinoline

2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-[1,3]oxazolo[5,4-f][1,10]phenanthroline;2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole;3-[4-phenyl-6-[3-(1-phenylbenzimidazol-2-yl)-5-(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]pyrimidin-2-yl]quinoline (PubChem CID 159316411) has the molecular formula C179H109N25O and a molecular weight of 2626.01 g/mol. Its IUPAC name is 2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-[1,3]oxazolo[5,4-f][1,10]phenanthroline;2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole;3-[4-phenyl-6-[3-(1-phenylbenzimidazol-2-yl)-5-(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]pyrimidin-2-yl]quinoline.

Molecular Properties

Compound Name2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-[1,3]oxazolo[5,4-f][1,10]phenanthroline;2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole;3-[4-phenyl-6-[3-(1-phenylbenzimidazol-2-yl)-5-(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]pyrimidin-2-yl]quinoline
PubChem CID159316411
Molecular FormulaC179H109N25O
Molecular Weight2626.01 g/mol
Exact Mass2623.92
IUPAC Name2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-[1,3]oxazolo[5,4-f][1,10]phenanthroline;2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole;3-[4-phenyl-6-[3-(1-phenylbenzimidazol-2-yl)-5-(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]pyrimidin-2-yl]quinoline
SMILESc1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5cnc6ccccc6c5)n4)cc(-c4nc5c6ccccc6c6ccccc6c5n4-c4ccccc4)c3)nc(-c3cnc4ccccc4c3)n2)cc1.c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5cnc6ccccc6c5)n4)cc(-c4nc5c6cccnc6c6ncccc6c5o4)c3)nc(-c3cnc4ccccc4c3)n2)cc1.c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5cnc6ccccc6c5)n4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)nc(-c3cnc4ccccc4c3)n2)cc1
InChIInChI=1S/C65H40N8.C57H33N9O.C57H36N8/c1-4-18-41(19-5-1)57-37-59(70-63(68-57)48-32-43-22-10-16-30-55(43)66-39-48)45-34-46(60-38-58(42-20-6-2-7-21-42)69-64(71-60)49-33-44-23-11-17-31-56(44)67-40-49)36-47(35-45)65-72-61-53-28-14-12-26-51(53)52-27-13-15-29-54(52)62(61)73(65)50-24-8-3-9-25-50;1-3-13-34(14-4-1)47-30-49(64-55(62-47)41-25-36-17-7-9-21-45(36)60-32-41)38-27-39(29-40(28-38)57-66-53-43-19-11-23-58-51(43)52-44(54(53)67-57)20-12-24-59-52)50-31-48(35-15-5-2-6-16-35)63-56(65-50)42-26-37-18-8-10-22-46(37)61-33-42;1-4-16-37(17-5-1)50-33-52(62-55(60-50)44-28-39-20-10-12-24-47(39)58-35-44)41-30-42(32-43(31-41)57-64-49-26-14-15-27-54(49)65(57)46-22-8-3-9-23-46)53-34-51(38-18-6-2-7-19-38)61-56(63-53)45-29-40-21-11-13-25-48(40)59-36-45/h1-40H;1-33H;1-36H
InChIKeyLDEQCSHKPBTVIK-UHFFFAOYSA-N
XLogP42.32
TPSA319.47 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002626.01
LogP ≤ 542.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-[1,3]oxazolo[5,4-f][1,10]phenanthroline;2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole;3-[4-phenyl-6-[3-(1-phenylbenzimidazol-2-yl)-5-(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]pyrimidin-2-yl]quinoline with MolForge

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Related Compounds

2-[3,5-bis[4,6-di(quinolin-3-yl)pyrimidin-2-yl]phenyl]-1,3-benzoxazole;2-[3,5-bis[4,6-di(quinolin-3-yl)pyrimidin-2-yl]phenyl]phenanthro[9,10-d][1,3]oxazole;2-[3,5-bis(4-phenyl-6-quinolin-3-ylpyrimidin-2-yl)phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline
CID 159131419
2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline
CID 89279930
2-[3,5-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-1,3-benzoxazole;2-[3,5-bis(2,6-diphenylpyrimidin-4-yl)phenyl]phenanthro[9,10-d][1,3]oxazole;2-[3,5-bis[4,6-di(quinolin-8-yl)pyrimidin-2-yl]phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline
CID 158859908
2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline;2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylphenanthro[9,10-d]imidazole;8-[4-[3-[2,6-di(quinolin-8-yl)-4-pyridinyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-6-quinolin-8-yl-2-pyridinyl]quinoline
CID 159086204
2-[3,5-bis(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline;2-[3,5-bis(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole;2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-1,3-benzoxazole
CID 158483415
2-[4-(2,4-diphenylbenzo[h]quinolin-6-yl)phenyl]phenanthro[9,10-d][1,3]oxazole;2,4-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline
CID 161364783
2-[3,5-bis(6-phenyl-2-quinolin-8-ylpyrimidin-4-yl)phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline
CID 89279933
2-[3,5-bis(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole
CID 89279864
2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-3-phenylphenanthro[9,10-d]imidazole
CID 89279828
6-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline
CID 146976715
2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-1-phenylbenzimidazole
CID 71104991
2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine;4,6-dipyridin-3-yl-2-(4-triphenylen-2-ylphenyl)pyrimidine;1-phenyl-2-(3-triphenylen-2-ylphenyl)benzimidazole;2-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 158734176

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-[1,3]oxazolo[5,4-f][1,10]phenanthroline;2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole;3-[4-phenyl-6-[3-(1-phenylbenzimidazol-2-yl)-5-(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]pyrimidin-2-yl]quinoline?
The IUPAC name of 2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-[1,3]oxazolo[5,4-f][1,10]phenanthroline;2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole;3-[4-phenyl-6-[3-(1-phenylbenzimidazol-2-yl)-5-(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]pyrimidin-2-yl]quinoline (CID 159316411) is 2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-[1,3]oxazolo[5,4-f][1,10]phenanthroline;2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole;3-[4-phenyl-6-[3-(1-phenylbenzimidazol-2-yl)-5-(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]pyrimidin-2-yl]quinoline.
What is the SMILES notation for 2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-[1,3]oxazolo[5,4-f][1,10]phenanthroline;2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole;3-[4-phenyl-6-[3-(1-phenylbenzimidazol-2-yl)-5-(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]pyrimidin-2-yl]quinoline?
The canonical SMILES for 2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-[1,3]oxazolo[5,4-f][1,10]phenanthroline;2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole;3-[4-phenyl-6-[3-(1-phenylbenzimidazol-2-yl)-5-(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]pyrimidin-2-yl]quinoline is c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5cnc6ccccc6c5)n4)cc(-c4nc5c6ccccc6c6ccccc6c5n4-c4ccccc4)c3)nc(-c3cnc4ccccc4c3)n2)cc1.c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5cnc6ccccc6c5)n4)cc(-c4nc5c6cccnc6c6ncccc6c5o4)c3)nc(-c3cnc4ccccc4c3)n2)cc1.c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5cnc6ccccc6c5)n4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)nc(-c3cnc4ccccc4c3)n2)cc1.
What is the InChIKey of 2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-[1,3]oxazolo[5,4-f][1,10]phenanthroline;2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole;3-[4-phenyl-6-[3-(1-phenylbenzimidazol-2-yl)-5-(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]pyrimidin-2-yl]quinoline?
The InChIKey is LDEQCSHKPBTVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H40N8.C57H33N9O.C57H36N8/c1-4-18-41(19-5-1)57-37-59(70-63(68-57)48-32-43-22-10-16-30-55(43)66-39-48)45-34-46(60-38-58(42-20-6-2-7-21-42)69-64(71-60)49-33-44-23-11-17-31-56(44)67-40-49)36-47(35-45)65-72-61-53-28-14-12-26-51(53)52-27-13-15-29-54(52)62(61)73(65)50-24-8-3-9-25-50;1-3-13-34(14-4-1)47-30-49(64-55(62-47)41-25-36-17-7-9-21-45(36)60-32-41)38-27-39(29-40(28-38)57-66-53-43-19-11-23-58-51(43)52-44(54(53)67-57)20-12-24-59-52)50-31-48(35-15-5-2-6-16-35)63-56(65-50)42-26-37-18-8-10-22-46(37)61-33-42;1-4-16-37(17-5-1)50-33-52(62-55(60-50)44-28-39-20-10-12-24-47(39)58-35-44)41-30-42(32-43(31-41)57-64-49-26-14-15-27-54(49)65(57)46-22-8-3-9-23-46)53-34-51(38-18-6-2-7-19-38)61-56(63-53)45-29-40-21-11-13-25-48(40)59-36-45/h1-40H;1-33H;1-36H.
What are the key properties of 2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-[1,3]oxazolo[5,4-f][1,10]phenanthroline;2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole;3-[4-phenyl-6-[3-(1-phenylbenzimidazol-2-yl)-5-(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]pyrimidin-2-yl]quinoline?
2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-[1,3]oxazolo[5,4-f][1,10]phenanthroline;2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole;3-[4-phenyl-6-[3-(1-phenylbenzimidazol-2-yl)-5-(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]pyrimidin-2-yl]quinoline has a molecular weight of 2626.01 g/mol, XLogP of 42.32, 23 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-[1,3]oxazolo[5,4-f][1,10]phenanthroline;2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole;3-[4-phenyl-6-[3-(1-phenylbenzimidazol-2-yl)-5-(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]pyrimidin-2-yl]quinoline is sourced from PubChem (CID 159316411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).