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

C170H104N16O3 — CID 159510993

IUPAC2-[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
SMILESc1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)cc(-c4nc5c(ccc6ccccc65)o4)c3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)cc(-c4nc5c6ccccc6c6ccccc6c5o4)c3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)cc(-c4nc5ncccc5o4)c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C61H37N5O.C57H35N5O.C52H32N6O/c1-3-17-40(18-4-1)53-36-55(64-59(62-53)44-29-27-38-15-7-9-21-42(38)31-44)46-33-47(35-48(34-46)61-66-57-51-25-13-11-23-49(51)50-24-12-14-26-52(50)58(57)67-61)56-37-54(41-19-5-2-6-20-41)63-60(65-56)45-30-28-39-16-8-10-22-43(39)32-45;1-3-16-39(17-4-1)49-34-51(60-55(58-49)43-25-23-36-13-7-9-20-41(36)29-43)45-31-46(33-47(32-45)57-62-54-48-22-12-11-15-38(48)27-28-53(54)63-57)52-35-50(40-18-5-2-6-19-40)59-56(61-52)44-26-24-37-14-8-10-21-42(37)30-44;1-3-14-35(15-4-1)44-31-46(56-49(54-44)39-23-21-33-12-7-9-18-37(33)26-39)41-28-42(30-43(29-41)52-58-51-48(59-52)20-11-25-53-51)47-32-45(36-16-5-2-6-17-36)55-50(57-47)40-24-22-34-13-8-10-19-38(34)27-40/h1-37H;1-35H;1-32H
InChIKeyMAPHMKLLPVQAHC-UHFFFAOYSA-N
MW2418.81 g/mol
LogP43.00
Rot. Bonds21

About 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

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 (PubChem CID 159510993) has the molecular formula C170H104N16O3 and a molecular weight of 2418.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID159510993
Molecular FormulaC170H104N16O3
Molecular Weight2418.81 g/mol
Exact Mass2416.85
IUPAC Name2-[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
SMILESc1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)cc(-c4nc5c(ccc6ccccc65)o4)c3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)cc(-c4nc5c6ccccc6c6ccccc6c5o4)c3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)cc(-c4nc5ncccc5o4)c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C61H37N5O.C57H35N5O.C52H32N6O/c1-3-17-40(18-4-1)53-36-55(64-59(62-53)44-29-27-38-15-7-9-21-42(38)31-44)46-33-47(35-48(34-46)61-66-57-51-25-13-11-23-49(51)50-24-12-14-26-52(50)58(57)67-61)56-37-54(41-19-5-2-6-20-41)63-60(65-56)45-30-28-39-16-8-10-22-43(39)32-45;1-3-16-39(17-4-1)49-34-51(60-55(58-49)43-25-23-36-13-7-9-20-41(36)29-43)45-31-46(33-47(32-45)57-62-54-48-22-12-11-15-38(48)27-28-53(54)63-57)52-35-50(40-18-5-2-6-19-40)59-56(61-52)44-26-24-37-14-8-10-21-42(37)30-44;1-3-14-35(15-4-1)44-31-46(56-49(54-44)39-23-21-33-12-7-9-18-37(33)26-39)41-28-42(30-43(29-41)52-58-51-48(59-52)20-11-25-53-51)47-32-45(36-16-5-2-6-17-36)55-50(57-47)40-24-22-34-13-8-10-19-38(34)27-40/h1-37H;1-35H;1-32H
InChIKeyMAPHMKLLPVQAHC-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(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 with MolForge

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Related Compounds

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(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(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine
CID 71104990
7-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzoxazole
CID 138633590
2-[3,5-bis(6-phenyl-2-quinolin-8-ylpyrimidin-4-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine
CID 71105044
9-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylphenanthro[9,10-d][1,3]oxazole
CID 163798639
2-[3,5-bis(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine
CID 71104995
8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenanthro[2,1-e][1,3]benzoxazole
CID 170122475
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-ylbenzo[e][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylbenzo[e][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[e][1,3]benzoxazole
CID 159089274
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
4-[3-dibenzofuran-2-yl-5-(3-naphthalen-2-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583020
4-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-2-yl-6-(4-phenylphenyl)pyrimidine
CID 130465796

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)cc(-c4nc5c(ccc6ccccc65)o4)c3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)cc(-c4nc5c6ccccc6c6ccccc6c5o4)c3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)cc(-c4nc5ncccc5o4)c3)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is MAPHMKLLPVQAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N5O.C57H35N5O.C52H32N6O/c1-3-17-40(18-4-1)53-36-55(64-59(62-53)44-29-27-38-15-7-9-21-42(38)31-44)46-33-47(35-48(34-46)61-66-57-51-25-13-11-23-49(51)50-24-12-14-26-52(50)58(57)67-61)56-37-54(41-19-5-2-6-20-41)63-60(65-56)45-30-28-39-16-8-10-22-43(39)32-45;1-3-16-39(17-4-1)49-34-51(60-55(58-49)43-25-23-36-13-7-9-20-41(36)29-43)45-31-46(33-47(32-45)57-62-54-48-22-12-11-15-38(48)27-28-53(54)63-57)52-35-50(40-18-5-2-6-19-40)59-56(61-52)44-26-24-37-14-8-10-21-42(37)30-44;1-3-14-35(15-4-1)44-31-46(56-49(54-44)39-23-21-33-12-7-9-18-37(33)26-39)41-28-42(30-43(29-41)52-58-51-48(59-52)20-11-25-53-51)47-32-45(36-16-5-2-6-17-36)55-50(57-47)40-24-22-34-13-8-10-19-38(34)27-40/h1-37H;1-35H;1-32H.
What are the key properties of 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?
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 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(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 is sourced from PubChem (CID 159510993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).