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

C200H122N10O3 — CID 158881737

IUPAC2-[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
SMILESc1ccc2c(-c3cc(-c4cc(-c5cc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)c5)cc(-c5nc6c(ccc7ccccc76)o5)c4)cc(-c4cccc5ccccc45)n3)cccc2c1.c1ccc2c(-c3cc(-c4cc(-c5cc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)c5)cc(-c5nc6c7ccccc7c7ccccc7c6o5)c4)cc(-c4cccc5ccccc45)n3)cccc2c1.c1ccc2c(-c3cc(-c4cc(-c5cc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)c5)cc(-c5nc6ncccc6o5)c4)cc(-c4cccc5ccccc45)n3)cccc2c1
InChIInChI=1S/C71H43N3O.C67H41N3O.C62H38N4O/c1-5-25-53-44(17-1)21-13-33-59(53)65-40-50(41-66(72-65)60-34-14-22-45-18-2-6-26-54(45)60)48-37-49(39-52(38-48)71-74-69-63-31-11-9-29-57(63)58-30-10-12-32-64(58)70(69)75-71)51-42-67(61-35-15-23-46-19-3-7-27-55(46)61)73-68(43-51)62-36-16-24-47-20-4-8-28-56(47)62;1-6-24-52-42(15-1)20-11-29-57(52)61-38-49(39-62(68-61)58-30-12-21-43-16-2-7-25-53(43)58)47-35-48(37-51(36-47)67-70-66-56-28-10-5-19-46(56)33-34-65(66)71-67)50-40-63(59-31-13-22-44-17-3-8-26-54(44)59)69-64(41-50)60-32-14-23-45-18-4-9-27-55(45)60;1-5-22-48-39(14-1)18-9-26-52(48)56-35-45(36-57(64-56)53-27-10-19-40-15-2-6-23-49(40)53)43-32-44(34-47(33-43)62-66-61-60(67-62)30-13-31-63-61)46-37-58(54-28-11-20-41-16-3-7-24-50(41)54)65-59(38-46)55-29-12-21-42-17-4-8-25-51(42)55/h1-43H;1-41H;1-38H
InChIKeyJDCNLNHBSSGIOJ-UHFFFAOYSA-N
MW2713.24 g/mol
LogP53.55
Rot. Bonds21

About 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

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 (PubChem CID 158881737) has the molecular formula C200H122N10O3 and a molecular weight of 2713.24 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID158881737
Molecular FormulaC200H122N10O3
Molecular Weight2713.24 g/mol
Exact Mass2710.97
IUPAC Name2-[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
SMILESc1ccc2c(-c3cc(-c4cc(-c5cc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)c5)cc(-c5nc6c(ccc7ccccc76)o5)c4)cc(-c4cccc5ccccc45)n3)cccc2c1.c1ccc2c(-c3cc(-c4cc(-c5cc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)c5)cc(-c5nc6c7ccccc7c7ccccc7c6o5)c4)cc(-c4cccc5ccccc45)n3)cccc2c1.c1ccc2c(-c3cc(-c4cc(-c5cc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)c5)cc(-c5nc6ncccc6o5)c4)cc(-c4cccc5ccccc45)n3)cccc2c1
InChIInChI=1S/C71H43N3O.C67H41N3O.C62H38N4O/c1-5-25-53-44(17-1)21-13-33-59(53)65-40-50(41-66(72-65)60-34-14-22-45-18-2-6-26-54(45)60)48-37-49(39-52(38-48)71-74-69-63-31-11-9-29-57(63)58-30-10-12-32-64(58)70(69)75-71)51-42-67(61-35-15-23-46-19-3-7-27-55(46)61)73-68(43-51)62-36-16-24-47-20-4-8-28-56(47)62;1-6-24-52-42(15-1)20-11-29-57(52)61-38-49(39-62(68-61)58-30-12-21-43-16-2-7-25-53(43)58)47-35-48(37-51(36-47)67-70-66-56-28-10-5-19-46(56)33-34-65(66)71-67)50-40-63(59-31-13-22-44-17-3-8-26-54(44)59)69-64(41-50)60-32-14-23-45-18-4-9-27-55(45)60;1-5-22-48-39(14-1)18-9-26-52(48)56-35-45(36-57(64-56)53-27-10-19-40-15-2-6-23-49(40)53)43-32-44(34-47(33-43)62-66-61-60(67-62)30-13-31-63-61)46-37-58(54-28-11-20-41-16-3-7-24-50(41)54)65-59(38-46)55-29-12-21-42-17-4-8-25-51(42)55/h1-43H;1-41H;1-38H
InChIKeyJDCNLNHBSSGIOJ-UHFFFAOYSA-N
XLogP53.55
TPSA168.32 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds21
Heavy Atoms213
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002713.24
LogP ≤ 553.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 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 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-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(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(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine
CID 71104995
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[5,4-f][1,10]phenanthroline
CID 89279878
2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole
CID 122368664
2-[3,5-bis(6-phenyl-2-quinolin-8-ylpyrimidin-4-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine
CID 71105044
2-[4-[4-phenanthren-9-yl-6-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphthalen-1-yl]-[1,3]oxazolo[4,5-b]pyridine
CID 58480115
10-(8-naphthalen-1-yldibenzofuran-1-yl)benzo[h]quinoline
CID 146301174
9-benzo[e][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 177081747
2-(3-methylphenyl)benzo[e][1,3]benzoxazole
CID 95911000

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(-c3cc(-c4cc(-c5cc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)c5)cc(-c5nc6c(ccc7ccccc76)o5)c4)cc(-c4cccc5ccccc45)n3)cccc2c1.c1ccc2c(-c3cc(-c4cc(-c5cc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)c5)cc(-c5nc6c7ccccc7c7ccccc7c6o5)c4)cc(-c4cccc5ccccc45)n3)cccc2c1.c1ccc2c(-c3cc(-c4cc(-c5cc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)c5)cc(-c5nc6ncccc6o5)c4)cc(-c4cccc5ccccc45)n3)cccc2c1.
What is the InChIKey of 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?
The InChIKey is JDCNLNHBSSGIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H43N3O.C67H41N3O.C62H38N4O/c1-5-25-53-44(17-1)21-13-33-59(53)65-40-50(41-66(72-65)60-34-14-22-45-18-2-6-26-54(45)60)48-37-49(39-52(38-48)71-74-69-63-31-11-9-29-57(63)58-30-10-12-32-64(58)70(69)75-71)51-42-67(61-35-15-23-46-19-3-7-27-55(46)61)73-68(43-51)62-36-16-24-47-20-4-8-28-56(47)62;1-6-24-52-42(15-1)20-11-29-57(52)61-38-49(39-62(68-61)58-30-12-21-43-16-2-7-25-53(43)58)47-35-48(37-51(36-47)67-70-66-56-28-10-5-19-46(56)33-34-65(66)71-67)50-40-63(59-31-13-22-44-17-3-8-26-54(44)59)69-64(41-50)60-32-14-23-45-18-4-9-27-55(45)60;1-5-22-48-39(14-1)18-9-26-52(48)56-35-45(36-57(64-56)53-27-10-19-40-15-2-6-23-49(40)53)43-32-44(34-47(33-43)62-66-61-60(67-62)30-13-31-63-61)46-37-58(54-28-11-20-41-16-3-7-24-50(41)54)65-59(38-46)55-29-12-21-42-17-4-8-25-51(42)55/h1-43H;1-41H;1-38H.
What are the key properties of 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?
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 has a molecular weight of 2713.24 g/mol, XLogP of 53.55, 21 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158881737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).