2-[3,5-di(quinolin-3-yl)phenyl]-1,3-benzoxazole;3-[3-[4-[3,5-di(quinolin-3-yl)phenyl]-2-(1-phenylbenzimidazol-2-yl)phenyl]-5-quinolin-3-ylphenyl]quinoline;2-[3-[3,5-di(quinolin-3-yl)phenyl]-5-quinolin-3-ylphenyl]-1,3-benzoxazole

C144H89N13O2 — CID 158352773

IUPAC2-[3,5-di(quinolin-3-yl)phenyl]-1,3-benzoxazole;3-[3-[4-[3,5-di(quinolin-3-yl)phenyl]-2-(1-phenylbenzimidazol-2-yl)phenyl]-5-quinolin-3-ylphenyl]quinoline;2-[3-[3,5-di(quinolin-3-yl)phenyl]-5-quinolin-3-ylphenyl]-1,3-benzoxazole
SMILESc1ccc(-n2c(-c3cc(-c4cc(-c5cnc6ccccc6c5)cc(-c5cnc6ccccc6c5)c4)ccc3-c3cc(-c4cnc5ccccc5c4)cc(-c4cnc5ccccc5c4)c3)nc3ccccc32)cc1.c1ccc2ncc(-c3cc(-c4cc(-c5cnc6ccccc6c5)cc(-c5nc6ccccc6o5)c4)cc(-c4cnc5ccccc5c4)c3)cc2c1.c1ccc2ncc(-c3cc(-c4cnc5ccccc5c4)cc(-c4nc5ccccc5o4)c3)cc2c1
InChIInChI=1S/C67H42N6.C46H28N4O.C31H19N3O/c1-2-18-58(19-3-1)73-66-25-13-12-24-65(66)72-67(73)60-38-43(48-32-49(54-28-44-14-4-8-20-61(44)68-39-54)34-50(33-48)55-29-45-15-5-9-21-62(45)69-40-55)26-27-59(60)53-36-51(56-30-46-16-6-10-22-63(46)70-41-56)35-52(37-53)57-31-47-17-7-11-23-64(47)71-42-57;1-4-12-41-29(9-1)17-38(26-47-41)34-20-32(21-35(23-34)39-18-30-10-2-5-13-42(30)48-27-39)33-22-36(40-19-31-11-3-6-14-43(31)49-28-40)25-37(24-33)46-50-44-15-7-8-16-45(44)51-46;1-3-9-27-20(7-1)13-25(18-32-27)22-15-23(26-14-21-8-2-4-10-28(21)33-19-26)17-24(16-22)31-34-29-11-5-6-12-30(29)35-31/h1-42H;1-28H;1-19H
InChIKeyGSNCEUINPOUQJP-UHFFFAOYSA-N
MW2033.38 g/mol
LogP36.62
Rot. Bonds16

About 2-[3,5-di(quinolin-3-yl)phenyl]-1,3-benzoxazole;3-[3-[4-[3,5-di(quinolin-3-yl)phenyl]-2-(1-phenylbenzimidazol-2-yl)phenyl]-5-quinolin-3-ylphenyl]quinoline;2-[3-[3,5-di(quinolin-3-yl)phenyl]-5-quinolin-3-ylphenyl]-1,3-benzoxazole

2-[3,5-di(quinolin-3-yl)phenyl]-1,3-benzoxazole;3-[3-[4-[3,5-di(quinolin-3-yl)phenyl]-2-(1-phenylbenzimidazol-2-yl)phenyl]-5-quinolin-3-ylphenyl]quinoline;2-[3-[3,5-di(quinolin-3-yl)phenyl]-5-quinolin-3-ylphenyl]-1,3-benzoxazole (PubChem CID 158352773) has the molecular formula C144H89N13O2 and a molecular weight of 2033.38 g/mol. Its IUPAC name is 2-[3,5-di(quinolin-3-yl)phenyl]-1,3-benzoxazole;3-[3-[4-[3,5-di(quinolin-3-yl)phenyl]-2-(1-phenylbenzimidazol-2-yl)phenyl]-5-quinolin-3-ylphenyl]quinoline;2-[3-[3,5-di(quinolin-3-yl)phenyl]-5-quinolin-3-ylphenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3,5-di(quinolin-3-yl)phenyl]-1,3-benzoxazole;3-[3-[4-[3,5-di(quinolin-3-yl)phenyl]-2-(1-phenylbenzimidazol-2-yl)phenyl]-5-quinolin-3-ylphenyl]quinoline;2-[3-[3,5-di(quinolin-3-yl)phenyl]-5-quinolin-3-ylphenyl]-1,3-benzoxazole
PubChem CID158352773
Molecular FormulaC144H89N13O2
Molecular Weight2033.38 g/mol
Exact Mass2031.73
IUPAC Name2-[3,5-di(quinolin-3-yl)phenyl]-1,3-benzoxazole;3-[3-[4-[3,5-di(quinolin-3-yl)phenyl]-2-(1-phenylbenzimidazol-2-yl)phenyl]-5-quinolin-3-ylphenyl]quinoline;2-[3-[3,5-di(quinolin-3-yl)phenyl]-5-quinolin-3-ylphenyl]-1,3-benzoxazole
SMILESc1ccc(-n2c(-c3cc(-c4cc(-c5cnc6ccccc6c5)cc(-c5cnc6ccccc6c5)c4)ccc3-c3cc(-c4cnc5ccccc5c4)cc(-c4cnc5ccccc5c4)c3)nc3ccccc32)cc1.c1ccc2ncc(-c3cc(-c4cc(-c5cnc6ccccc6c5)cc(-c5nc6ccccc6o5)c4)cc(-c4cnc5ccccc5c4)c3)cc2c1.c1ccc2ncc(-c3cc(-c4cnc5ccccc5c4)cc(-c4nc5ccccc5o4)c3)cc2c1
InChIInChI=1S/C67H42N6.C46H28N4O.C31H19N3O/c1-2-18-58(19-3-1)73-66-25-13-12-24-65(66)72-67(73)60-38-43(48-32-49(54-28-44-14-4-8-20-61(44)68-39-54)34-50(33-48)55-29-45-15-5-9-21-62(45)69-40-55)26-27-59(60)53-36-51(56-30-46-16-6-10-22-63(46)70-41-56)35-52(37-53)57-31-47-17-7-11-23-64(47)71-42-57;1-4-12-41-29(9-1)17-38(26-47-41)34-20-32(21-35(23-34)39-18-30-10-2-5-13-42(30)48-27-39)33-22-36(40-19-31-11-3-6-14-43(31)49-28-40)25-37(24-33)46-50-44-15-7-8-16-45(44)51-46;1-3-9-27-20(7-1)13-25(18-32-27)22-15-23(26-14-21-8-2-4-10-28(21)33-19-26)17-24(16-22)31-34-29-11-5-6-12-30(29)35-31/h1-42H;1-28H;1-19H
InChIKeyGSNCEUINPOUQJP-UHFFFAOYSA-N
XLogP36.62
TPSA185.89 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002033.38
LogP ≤ 536.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-[3,5-di(quinolin-3-yl)phenyl]-1,3-benzoxazole;3-[3-[4-[3,5-di(quinolin-3-yl)phenyl]-2-(1-phenylbenzimidazol-2-yl)phenyl]-5-quinolin-3-ylphenyl]quinoline;2-[3-[3,5-di(quinolin-3-yl)phenyl]-5-quinolin-3-ylphenyl]-1,3-benzoxazole with MolForge

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Related Compounds

5-(4-(1-Phenyl-1H-benzo[d]imidazol-2-yl)phenyl)-2-(quinolin-6-yl)benzo[d]oxazole
CID 90257208
2-[3-[4-[3-(4-Methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]phenyl]-5-quinolin-5-ylphenyl]-1,3-benzoxazole
CID 58480069
2-[3-[4-[3,5-Bis[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]phenyl]-5-quinolin-5-ylphenyl]-1,3-benzoxazole
CID 59439666
1-[7-[5-amino-7-fluoro-2-[[2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]methyl]imidazo[1,2-c]quinazolin-10-yl]-5-[(5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-(3,4-difluorophenyl)ethanone
CID 138721222
4-[4-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]phenyl]-2,5,6-trimethylpyrimidine;2,4,5-trimethyl-6-[3-(5-methyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]pyrimidine;5-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]-1,10-phenanthroline;2-[4-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]phenyl]-1,3-benzoxazole
CID 157544793
7-(2,7-dimethyl-3H-benzimidazol-5-yl)-5-fluoro-3-piperidin-4-yl-1,2,4-benzotriazine;5-fluoro-7-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-piperidin-4-yl-1,2,4-benzotriazine;6-(5-fluoro-3-piperidin-4-yl-1,2,4-benzotriazin-7-yl)-2,4-dimethyl-1,3-benzoxazole
CID 158781212
1-(3,3-dimethylbutyl)indole;N-(3,3-dimethylbutyl)-N-methyl-1,3-benzoxazol-2-amine;4-(3,3-dimethylbutyl)-5-methyl-2-phenyl-1,3-oxazole;N-(3,3-dimethylbutyl)-N-methylpyridin-2-amine;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 159522960
4,7-Dimethyl-2,3-dihydro-1,4-benzoxazine;1,7-dimethyl-3,4-dihydroquinolin-2-one;1,2-dimethylimidazole;2,6-dimethylnaphthalene;2-methyl-1,3-oxazole;2-methylpyridine;3-methylquinoline;2-methylquinoxaline;5-methyl-2-(trifluoromethyl)pyrimidine;3,3,7-trimethyl-2,4-dihydrochromene
CID 160179797
2-[4-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]phenyl]-4,5,6-triphenylpyrimidine;2-[4-[2-(4-isocyanophenyl)naphthalen-1-yl]phenyl]-4,5,6-triphenylpyrimidine;2-[3-(5-methyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]-4,5,6-triphenylpyrimidine;2-[4-[4-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)phenyl]phenyl]-1,3-benzoxazole
CID 160278759
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 160449291
6-[1-(4-tert-butyl-2-phenylphenyl)-5-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;8-[1-[4-(4-fluorophenyl)-2,6-dimethylphenyl]benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-fluoro-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane)
CID 160727104
2-[3-(2-Cyclohexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline;4-(2,6-dimethylphenyl)-2-(3-phenylbenzene-6-id-1-yl)quinazoline;2-[4-fluoro-3-[3-(4-phenylbutyl)phenyl]benzene-6-id-1-yl]quinazoline;2-(4-hexylbenzene-6-id-1-yl)quinazoline;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-8-methylquinazoline;4-hydroxypent-3-en-2-one;octakis(iridium);4-methyl-2-(3-pentylbenzene-6-id-1-yl)-6-phenyl-8-propan-2-ylquinazoline;2-(3-phenylbenzene-6-id-1-yl)-4-(6-phenylhexyl)quinazoline;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzoxazole;4-phenyl-2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]quinazoline
CID 160805991

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(quinolin-3-yl)phenyl]-1,3-benzoxazole;3-[3-[4-[3,5-di(quinolin-3-yl)phenyl]-2-(1-phenylbenzimidazol-2-yl)phenyl]-5-quinolin-3-ylphenyl]quinoline;2-[3-[3,5-di(quinolin-3-yl)phenyl]-5-quinolin-3-ylphenyl]-1,3-benzoxazole?
The IUPAC name of 2-[3,5-di(quinolin-3-yl)phenyl]-1,3-benzoxazole;3-[3-[4-[3,5-di(quinolin-3-yl)phenyl]-2-(1-phenylbenzimidazol-2-yl)phenyl]-5-quinolin-3-ylphenyl]quinoline;2-[3-[3,5-di(quinolin-3-yl)phenyl]-5-quinolin-3-ylphenyl]-1,3-benzoxazole (CID 158352773) is 2-[3,5-di(quinolin-3-yl)phenyl]-1,3-benzoxazole;3-[3-[4-[3,5-di(quinolin-3-yl)phenyl]-2-(1-phenylbenzimidazol-2-yl)phenyl]-5-quinolin-3-ylphenyl]quinoline;2-[3-[3,5-di(quinolin-3-yl)phenyl]-5-quinolin-3-ylphenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[3,5-di(quinolin-3-yl)phenyl]-1,3-benzoxazole;3-[3-[4-[3,5-di(quinolin-3-yl)phenyl]-2-(1-phenylbenzimidazol-2-yl)phenyl]-5-quinolin-3-ylphenyl]quinoline;2-[3-[3,5-di(quinolin-3-yl)phenyl]-5-quinolin-3-ylphenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[3,5-di(quinolin-3-yl)phenyl]-1,3-benzoxazole;3-[3-[4-[3,5-di(quinolin-3-yl)phenyl]-2-(1-phenylbenzimidazol-2-yl)phenyl]-5-quinolin-3-ylphenyl]quinoline;2-[3-[3,5-di(quinolin-3-yl)phenyl]-5-quinolin-3-ylphenyl]-1,3-benzoxazole is c1ccc(-n2c(-c3cc(-c4cc(-c5cnc6ccccc6c5)cc(-c5cnc6ccccc6c5)c4)ccc3-c3cc(-c4cnc5ccccc5c4)cc(-c4cnc5ccccc5c4)c3)nc3ccccc32)cc1.c1ccc2ncc(-c3cc(-c4cc(-c5cnc6ccccc6c5)cc(-c5nc6ccccc6o5)c4)cc(-c4cnc5ccccc5c4)c3)cc2c1.c1ccc2ncc(-c3cc(-c4cnc5ccccc5c4)cc(-c4nc5ccccc5o4)c3)cc2c1.
What is the InChIKey of 2-[3,5-di(quinolin-3-yl)phenyl]-1,3-benzoxazole;3-[3-[4-[3,5-di(quinolin-3-yl)phenyl]-2-(1-phenylbenzimidazol-2-yl)phenyl]-5-quinolin-3-ylphenyl]quinoline;2-[3-[3,5-di(quinolin-3-yl)phenyl]-5-quinolin-3-ylphenyl]-1,3-benzoxazole?
The InChIKey is GSNCEUINPOUQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42N6.C46H28N4O.C31H19N3O/c1-2-18-58(19-3-1)73-66-25-13-12-24-65(66)72-67(73)60-38-43(48-32-49(54-28-44-14-4-8-20-61(44)68-39-54)34-50(33-48)55-29-45-15-5-9-21-62(45)69-40-55)26-27-59(60)53-36-51(56-30-46-16-6-10-22-63(46)70-41-56)35-52(37-53)57-31-47-17-7-11-23-64(47)71-42-57;1-4-12-41-29(9-1)17-38(26-47-41)34-20-32(21-35(23-34)39-18-30-10-2-5-13-42(30)48-27-39)33-22-36(40-19-31-11-3-6-14-43(31)49-28-40)25-37(24-33)46-50-44-15-7-8-16-45(44)51-46;1-3-9-27-20(7-1)13-25(18-32-27)22-15-23(26-14-21-8-2-4-10-28(21)33-19-26)17-24(16-22)31-34-29-11-5-6-12-30(29)35-31/h1-42H;1-28H;1-19H.
What are the key properties of 2-[3,5-di(quinolin-3-yl)phenyl]-1,3-benzoxazole;3-[3-[4-[3,5-di(quinolin-3-yl)phenyl]-2-(1-phenylbenzimidazol-2-yl)phenyl]-5-quinolin-3-ylphenyl]quinoline;2-[3-[3,5-di(quinolin-3-yl)phenyl]-5-quinolin-3-ylphenyl]-1,3-benzoxazole?
2-[3,5-di(quinolin-3-yl)phenyl]-1,3-benzoxazole;3-[3-[4-[3,5-di(quinolin-3-yl)phenyl]-2-(1-phenylbenzimidazol-2-yl)phenyl]-5-quinolin-3-ylphenyl]quinoline;2-[3-[3,5-di(quinolin-3-yl)phenyl]-5-quinolin-3-ylphenyl]-1,3-benzoxazole has a molecular weight of 2033.38 g/mol, XLogP of 36.62, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(quinolin-3-yl)phenyl]-1,3-benzoxazole;3-[3-[4-[3,5-di(quinolin-3-yl)phenyl]-2-(1-phenylbenzimidazol-2-yl)phenyl]-5-quinolin-3-ylphenyl]quinoline;2-[3-[3,5-di(quinolin-3-yl)phenyl]-5-quinolin-3-ylphenyl]-1,3-benzoxazole is sourced from PubChem (CID 158352773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).