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

C167H102N22O2 — CID 158859908

IUPAC2-[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
SMILESc1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4nc5c6ccccc6c6ccccc6c5o4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4nc5ccccc5o4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-n2c(-c3cc(-c4nc(-c5cccc6cccnc56)cc(-c5cccc6cccnc56)n4)cc(-c4nc(-c5cccc6cccnc56)cc(-c5cccc6cccnc56)n4)c3)nc3c4cccnc4c4ncccc4c32)cc1
InChIInChI=1S/C69H40N12.C53H33N5O.C45H29N5O/c1-2-22-48(23-3-1)81-66-54-29-13-35-75-64(54)63-53(28-12-34-74-63)65(66)80-69(81)47-37-45(67-76-55(49-24-4-14-41-18-8-30-70-59(41)49)39-56(77-67)50-25-5-15-42-19-9-31-71-60(42)50)36-46(38-47)68-78-57(51-26-6-16-43-20-10-32-72-61(43)51)40-58(79-68)52-27-7-17-44-21-11-33-73-62(44)52;1-5-17-34(18-6-1)45-32-47(56-51(54-45)36-21-9-3-10-22-36)38-29-39(48-33-46(35-19-7-2-8-20-35)55-52(57-48)37-23-11-4-12-24-37)31-40(30-38)53-58-49-43-27-15-13-25-41(43)42-26-14-16-28-44(42)50(49)59-53;1-5-15-30(16-6-1)38-28-40(48-43(46-38)32-19-9-3-10-20-32)34-25-35(27-36(26-34)45-50-37-23-13-14-24-42(37)51-45)41-29-39(31-17-7-2-8-18-31)47-44(49-41)33-21-11-4-12-22-33/h1-40H;1-33H;1-29H
InChIKeyJANJEWMOGCCUDE-UHFFFAOYSA-N
MW2448.80 g/mol
LogP40.02
Rot. Bonds22

About 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

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 (PubChem CID 158859908) has the molecular formula C167H102N22O2 and a molecular weight of 2448.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID158859908
Molecular FormulaC167H102N22O2
Molecular Weight2448.80 g/mol
Exact Mass2446.86
IUPAC Name2-[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
SMILESc1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4nc5c6ccccc6c6ccccc6c5o4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4nc5ccccc5o4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-n2c(-c3cc(-c4nc(-c5cccc6cccnc56)cc(-c5cccc6cccnc56)n4)cc(-c4nc(-c5cccc6cccnc56)cc(-c5cccc6cccnc56)n4)c3)nc3c4cccnc4c4ncccc4c32)cc1
InChIInChI=1S/C69H40N12.C53H33N5O.C45H29N5O/c1-2-22-48(23-3-1)81-66-54-29-13-35-75-64(54)63-53(28-12-34-74-63)65(66)80-69(81)47-37-45(67-76-55(49-24-4-14-41-18-8-30-70-59(41)49)39-56(77-67)50-25-5-15-42-19-9-31-71-60(42)50)36-46(38-47)68-78-57(51-26-6-16-43-20-10-32-72-61(43)51)40-58(79-68)52-27-7-17-44-21-11-33-73-62(44)52;1-5-17-34(18-6-1)45-32-47(56-51(54-45)36-21-9-3-10-22-36)38-29-39(48-33-46(35-19-7-2-8-20-35)55-52(57-48)37-23-11-4-12-24-37)31-40(30-38)53-58-49-43-27-15-13-25-41(43)42-26-14-16-28-44(42)50(49)59-53;1-5-15-30(16-6-1)38-28-40(48-43(46-38)32-19-9-3-10-20-32)34-25-35(27-36(26-34)45-50-37-23-13-14-24-42(37)51-45)41-29-39(31-17-7-2-8-18-31)47-44(49-41)33-21-11-4-12-22-33/h1-40H;1-33H;1-29H
InChIKeyJANJEWMOGCCUDE-UHFFFAOYSA-N
XLogP40.02
TPSA301.90 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002448.80
LogP ≤ 540.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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(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-[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
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(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-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-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]benzo[e][1,3]benzoxazole;2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenanthro[9,10-d][1,3]oxazole
CID 161176357
2-[3,5-bis(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[5,4-f][1,10]phenanthroline
CID 89279878
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(6-phenyl-2-quinolin-8-ylpyrimidin-4-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine
CID 71105044
2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine
CID 71104990
2-[3,5-bis(2,6-dinaphthalen-1-yl-4-pyridinyl)phenyl]benzo[e][1,3]benzoxazole;2-[3,5-bis(2,6-dinaphthalen-1-yl-4-pyridinyl)phenyl]-1,3-benzoxazole;2-[3,5-bis(2,6-dinaphthalen-1-yl-4-pyridinyl)phenyl]phenanthro[9,10-d][1,3]oxazole
CID 160633807

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4nc5c6ccccc6c6ccccc6c5o4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4nc5ccccc5o4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-n2c(-c3cc(-c4nc(-c5cccc6cccnc56)cc(-c5cccc6cccnc56)n4)cc(-c4nc(-c5cccc6cccnc56)cc(-c5cccc6cccnc56)n4)c3)nc3c4cccnc4c4ncccc4c32)cc1.
What is the InChIKey of 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?
The InChIKey is JANJEWMOGCCUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H40N12.C53H33N5O.C45H29N5O/c1-2-22-48(23-3-1)81-66-54-29-13-35-75-64(54)63-53(28-12-34-74-63)65(66)80-69(81)47-37-45(67-76-55(49-24-4-14-41-18-8-30-70-59(41)49)39-56(77-67)50-25-5-15-42-19-9-31-71-60(42)50)36-46(38-47)68-78-57(51-26-6-16-43-20-10-32-72-61(43)51)40-58(79-68)52-27-7-17-44-21-11-33-73-62(44)52;1-5-17-34(18-6-1)45-32-47(56-51(54-45)36-21-9-3-10-22-36)38-29-39(48-33-46(35-19-7-2-8-20-35)55-52(57-48)37-23-11-4-12-24-37)31-40(30-38)53-58-49-43-27-15-13-25-41(43)42-26-14-16-28-44(42)50(49)59-53;1-5-15-30(16-6-1)38-28-40(48-43(46-38)32-19-9-3-10-20-32)34-25-35(27-36(26-34)45-50-37-23-13-14-24-42(37)51-45)41-29-39(31-17-7-2-8-18-31)47-44(49-41)33-21-11-4-12-22-33/h1-40H;1-33H;1-29H.
What are the key properties of 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?
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 has a molecular weight of 2448.80 g/mol, XLogP of 40.02, 22 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158859908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).