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

C201H123N19O — CID 158483415

IUPAC2-[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
SMILESc1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3cc(-c4nc(-c5ccccc5)cc(-c5cccc6ccccc56)n4)cc(-c4nc5ccccc5o4)c3)n2)cc1.c1ccc(-n2c(-c3cc(-c4nc(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)n4)cc(-c4nc(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)n4)c3)nc3c4ccccc4c4ccccc4c32)cc1.c1ccc(-n2c(-c3cc(-c4nc(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)n4)cc(-c4nc(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)n4)c3)nc3c4cccnc4c4ncccc4c32)cc1
InChIInChI=1S/C75H46N6.C73H44N8.C53H33N5O/c1-2-24-62(25-3-1)81-72-66-29-15-13-27-64(66)63-26-12-14-28-65(63)71(72)80-75(81)61-43-59(73-76-67(55-34-30-47-16-4-8-20-51(47)38-55)45-68(77-73)56-35-31-48-17-5-9-21-52(48)39-56)42-60(44-61)74-78-69(57-36-32-49-18-6-10-22-53(49)40-57)46-70(79-74)58-37-33-50-19-7-11-23-54(50)41-58;1-2-22-60(23-3-1)81-70-62-25-13-35-75-68(62)67-61(24-12-34-74-67)69(70)80-73(81)59-41-57(71-76-63(53-30-26-45-14-4-8-18-49(45)36-53)43-64(77-71)54-31-27-46-15-5-9-19-50(46)37-54)40-58(42-59)72-78-65(55-32-28-47-16-6-10-20-51(47)38-55)44-66(79-72)56-33-29-48-17-7-11-21-52(48)39-56;1-3-17-36(18-4-1)46-32-48(43-25-13-21-34-15-7-9-23-41(34)43)56-51(54-46)38-29-39(31-40(30-38)53-58-45-27-11-12-28-50(45)59-53)52-55-47(37-19-5-2-6-20-37)33-49(57-52)44-26-14-22-35-16-8-10-24-42(35)44/h1-46H;1-44H;1-33H
InChIKeyHHUKMNNRGRTPII-UHFFFAOYSA-N
MW2820.33 g/mol
LogP50.56
Rot. Bonds23

About 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

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 (PubChem CID 158483415) has the molecular formula C201H123N19O and a molecular weight of 2820.33 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID158483415
Molecular FormulaC201H123N19O
Molecular Weight2820.33 g/mol
Exact Mass2818.02
IUPAC Name2-[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
SMILESc1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3cc(-c4nc(-c5ccccc5)cc(-c5cccc6ccccc56)n4)cc(-c4nc5ccccc5o4)c3)n2)cc1.c1ccc(-n2c(-c3cc(-c4nc(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)n4)cc(-c4nc(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)n4)c3)nc3c4ccccc4c4ccccc4c32)cc1.c1ccc(-n2c(-c3cc(-c4nc(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)n4)cc(-c4nc(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)n4)c3)nc3c4cccnc4c4ncccc4c32)cc1
InChIInChI=1S/C75H46N6.C73H44N8.C53H33N5O/c1-2-24-62(25-3-1)81-72-66-29-15-13-27-64(66)63-26-12-14-28-65(63)71(72)80-75(81)61-43-59(73-76-67(55-34-30-47-16-4-8-20-51(47)38-55)45-68(77-73)56-35-31-48-17-5-9-21-52(48)39-56)42-60(44-61)74-78-69(57-36-32-49-18-6-10-22-53(49)40-57)46-70(79-74)58-37-33-50-19-7-11-23-54(50)41-58;1-2-22-60(23-3-1)81-70-62-25-13-35-75-68(62)67-61(24-12-34-74-67)69(70)80-73(81)59-41-57(71-76-63(53-30-26-45-14-4-8-18-49(45)36-53)43-64(77-71)54-31-27-46-15-5-9-19-50(46)37-54)40-58(42-59)72-78-65(55-32-28-47-16-6-10-20-51(47)38-55)44-66(79-72)56-33-29-48-17-7-11-21-52(48)39-56;1-3-17-36(18-4-1)46-32-48(43-25-13-21-34-15-7-9-23-41(34)43)56-51(54-46)38-29-39(31-40(30-38)53-58-45-27-11-12-28-50(45)59-53)52-55-47(37-19-5-2-6-20-37)33-49(57-52)44-26-14-22-35-16-8-10-24-42(35)44/h1-46H;1-44H;1-33H
InChIKeyHHUKMNNRGRTPII-UHFFFAOYSA-N
XLogP50.56
TPSA242.13 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms221
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002820.33
LogP ≤ 550.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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-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-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]-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(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[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]-[1,3]oxazolo[4,5-b]pyridine
CID 71104990
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-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-1-phenylbenzimidazole
CID 71104991
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3cc(-c4nc(-c5ccccc5)cc(-c5cccc6ccccc56)n4)cc(-c4nc5ccccc5o4)c3)n2)cc1.c1ccc(-n2c(-c3cc(-c4nc(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)n4)cc(-c4nc(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)n4)c3)nc3c4ccccc4c4ccccc4c32)cc1.c1ccc(-n2c(-c3cc(-c4nc(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)n4)cc(-c4nc(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)n4)c3)nc3c4cccnc4c4ncccc4c32)cc1.
What is the InChIKey of 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?
The InChIKey is HHUKMNNRGRTPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H46N6.C73H44N8.C53H33N5O/c1-2-24-62(25-3-1)81-72-66-29-15-13-27-64(66)63-26-12-14-28-65(63)71(72)80-75(81)61-43-59(73-76-67(55-34-30-47-16-4-8-20-51(47)38-55)45-68(77-73)56-35-31-48-17-5-9-21-52(48)39-56)42-60(44-61)74-78-69(57-36-32-49-18-6-10-22-53(49)40-57)46-70(79-74)58-37-33-50-19-7-11-23-54(50)41-58;1-2-22-60(23-3-1)81-70-62-25-13-35-75-68(62)67-61(24-12-34-74-67)69(70)80-73(81)59-41-57(71-76-63(53-30-26-45-14-4-8-18-49(45)36-53)43-64(77-71)54-31-27-46-15-5-9-19-50(46)37-54)40-58(42-59)72-78-65(55-32-28-47-16-6-10-20-51(47)38-55)44-66(79-72)56-33-29-48-17-7-11-21-52(48)39-56;1-3-17-36(18-4-1)46-32-48(43-25-13-21-34-15-7-9-23-41(34)43)56-51(54-46)38-29-39(31-40(30-38)53-58-45-27-11-12-28-50(45)59-53)52-55-47(37-19-5-2-6-20-37)33-49(57-52)44-26-14-22-35-16-8-10-24-42(35)44/h1-46H;1-44H;1-33H.
What are the key properties of 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?
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 has a molecular weight of 2820.33 g/mol, XLogP of 50.56, 23 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158483415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).