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

C170H104N16O3 — CID 161176357

IUPAC2-[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
SMILESc1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3cc(-c4nc(-c5ccccc5)cc(-c5cccc6ccccc56)n4)cc(-c4nc5c(ccc6ccccc65)o4)c3)n2)cc1.c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3cc(-c4nc(-c5ccccc5)cc(-c5cccc6ccccc56)n4)cc(-c4nc5c6ccccc6c6ccccc6c5o4)c3)n2)cc1.c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3cc(-c4nc(-c5ccccc5)cc(-c5cccc6ccccc56)n4)cc(-c4nc5ncccc5o4)c3)n2)cc1
InChIInChI=1S/C61H37N5O.C57H35N5O.C52H32N6O/c1-3-19-40(20-4-1)53-36-55(49-31-15-23-38-17-7-9-25-45(38)49)64-59(62-53)42-33-43(35-44(34-42)61-66-57-51-29-13-11-27-47(51)48-28-12-14-30-52(48)58(57)67-61)60-63-54(41-21-5-2-6-22-41)37-56(65-60)50-32-16-24-39-18-8-10-26-46(39)50;1-3-18-39(19-4-1)49-34-51(47-27-13-22-36-15-7-10-24-44(36)47)60-55(58-49)41-31-42(33-43(32-41)57-62-54-46-26-12-9-17-38(46)29-30-53(54)63-57)56-59-50(40-20-5-2-6-21-40)35-52(61-56)48-28-14-23-37-16-8-11-25-45(37)48;1-3-16-35(17-4-1)44-31-46(42-24-11-20-33-14-7-9-22-40(33)42)56-49(54-44)37-28-38(30-39(29-37)52-58-51-48(59-52)26-13-27-53-51)50-55-45(36-18-5-2-6-19-36)32-47(57-50)43-25-12-21-34-15-8-10-23-41(34)43/h1-37H;1-35H;1-32H
InChIKeyURWCLDGZSBOPDD-UHFFFAOYSA-N
MW2418.81 g/mol
LogP43.00
Rot. Bonds21

About 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

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 (PubChem CID 161176357) has the molecular formula C170H104N16O3 and a molecular weight of 2418.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID161176357
Molecular FormulaC170H104N16O3
Molecular Weight2418.81 g/mol
Exact Mass2416.85
IUPAC Name2-[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
SMILESc1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3cc(-c4nc(-c5ccccc5)cc(-c5cccc6ccccc56)n4)cc(-c4nc5c(ccc6ccccc65)o4)c3)n2)cc1.c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3cc(-c4nc(-c5ccccc5)cc(-c5cccc6ccccc56)n4)cc(-c4nc5c6ccccc6c6ccccc6c5o4)c3)n2)cc1.c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3cc(-c4nc(-c5ccccc5)cc(-c5cccc6ccccc56)n4)cc(-c4nc5ncccc5o4)c3)n2)cc1
InChIInChI=1S/C61H37N5O.C57H35N5O.C52H32N6O/c1-3-19-40(20-4-1)53-36-55(49-31-15-23-38-17-7-9-25-45(38)49)64-59(62-53)42-33-43(35-44(34-42)61-66-57-51-29-13-11-27-47(51)48-28-12-14-30-52(48)58(57)67-61)60-63-54(41-21-5-2-6-22-41)37-56(65-60)50-32-16-24-39-18-8-10-26-46(39)50;1-3-18-39(19-4-1)49-34-51(47-27-13-22-36-15-7-10-24-44(36)47)60-55(58-49)41-31-42(33-43(32-41)57-62-54-46-26-12-9-17-38(46)29-30-53(54)63-57)56-59-50(40-20-5-2-6-21-40)35-52(61-56)48-28-14-23-37-16-8-11-25-45(37)48;1-3-16-35(17-4-1)44-31-46(42-24-11-20-33-14-7-9-22-40(33)42)56-49(54-44)37-28-38(30-39(29-37)52-58-51-48(59-52)26-13-27-53-51)50-55-45(36-18-5-2-6-19-36)32-47(57-50)43-25-12-21-34-15-8-10-23-41(34)43/h1-37H;1-35H;1-32H
InChIKeyURWCLDGZSBOPDD-UHFFFAOYSA-N
XLogP43.00
TPSA245.66 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds21
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002418.81
LogP ≤ 543.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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]oxazolo[4,5-b]pyridine;2-[3,5-bis(2,6-dinaphthalen-1-yl-4-pyridinyl)phenyl]phenanthro[9,10-d][1,3]oxazole
CID 158881737
2-[3,5-bis(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]benzo[e][1,3]benzoxazole;2-[3,5-bis(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-[3,5-bis(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]phenanthro[9,10-d][1,3]oxazole
CID 159510993
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(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine
CID 71104995
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(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
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(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(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
7-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzoxazole
CID 138633590
2-phenyl-4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 147571210
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3cc(-c4nc(-c5ccccc5)cc(-c5cccc6ccccc56)n4)cc(-c4nc5c(ccc6ccccc65)o4)c3)n2)cc1.c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3cc(-c4nc(-c5ccccc5)cc(-c5cccc6ccccc56)n4)cc(-c4nc5c6ccccc6c6ccccc6c5o4)c3)n2)cc1.c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3cc(-c4nc(-c5ccccc5)cc(-c5cccc6ccccc56)n4)cc(-c4nc5ncccc5o4)c3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is URWCLDGZSBOPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N5O.C57H35N5O.C52H32N6O/c1-3-19-40(20-4-1)53-36-55(49-31-15-23-38-17-7-9-25-45(38)49)64-59(62-53)42-33-43(35-44(34-42)61-66-57-51-29-13-11-27-47(51)48-28-12-14-30-52(48)58(57)67-61)60-63-54(41-21-5-2-6-22-41)37-56(65-60)50-32-16-24-39-18-8-10-26-46(39)50;1-3-18-39(19-4-1)49-34-51(47-27-13-22-36-15-7-10-24-44(36)47)60-55(58-49)41-31-42(33-43(32-41)57-62-54-46-26-12-9-17-38(46)29-30-53(54)63-57)56-59-50(40-20-5-2-6-21-40)35-52(61-56)48-28-14-23-37-16-8-11-25-45(37)48;1-3-16-35(17-4-1)44-31-46(42-24-11-20-33-14-7-9-22-40(33)42)56-49(54-44)37-28-38(30-39(29-37)52-58-51-48(59-52)26-13-27-53-51)50-55-45(36-18-5-2-6-19-36)32-47(57-50)43-25-12-21-34-15-8-10-23-41(34)43/h1-37H;1-35H;1-32H.
What are the key properties of 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?
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 has a molecular weight of 2418.81 g/mol, XLogP of 43.00, 21 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161176357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).