2-(3-anthracen-9-yl-5-perylen-2-ylphenyl)-1-phenylbenzimidazole;6-[3-anthracen-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2,3-diphenylquinoxaline;2-[3-benzo[g]quinolin-10-yl-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzoxazole;2-(3-pyrido[2,3-g]quinolin-5-yl-5-quinolin-5-ylphenyl)-1,3-benzoxazole

C178H108N14O2 — CID 157219787

IUPAC2-(3-anthracen-9-yl-5-perylen-2-ylphenyl)-1-phenylbenzimidazole;6-[3-anthracen-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2,3-diphenylquinoxaline;2-[3-benzo[g]quinolin-10-yl-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzoxazole;2-(3-pyrido[2,3-g]quinolin-5-yl-5-quinolin-5-ylphenyl)-1,3-benzoxazole
SMILESc1ccc(-c2nc3ccc(-c4cc(-c5c6ccccc6cc6ccccc56)cc(-c5nc6ccccc6n5-c5ccccc5)c4)cc3nc2-c2ccccc2)cc1.c1ccc(-n2c(-c3cc(-c4cc5cccc6c7cccc8cccc(c(c4)c56)c87)cc(-c4c5ccccc5cc5ccccc45)c3)nc3ccccc32)cc1.c1ccc2c(-c3cc(-c4nc5ccccc5o4)cc(-c4cc5cccnc5c5ncccc45)c3)c3ncccc3cc2c1.c1cnc2c(-c3cc(-c4nc5ccccc5o4)cc(-c4cccc5ncccc45)c3)c3cccnc3cc2c1
InChIInChI=1S/C53H34N4.C53H32N2.C38H22N4O.C34H20N4O/c1-4-16-35(17-5-1)51-52(36-18-6-2-7-19-36)55-48-34-37(28-29-46(48)54-51)40-31-41(50-44-24-12-10-20-38(44)30-39-21-11-13-25-45(39)50)33-42(32-40)53-56-47-26-14-15-27-49(47)57(53)43-22-8-3-9-23-43;1-2-18-41(19-3-1)55-49-26-9-8-25-48(49)54-53(55)40-30-37(29-39(31-40)52-42-20-6-4-13-34(42)27-35-14-5-7-21-43(35)52)38-28-36-17-12-23-45-44-22-10-15-33-16-11-24-46(50(33)44)47(32-38)51(36)45;1-2-11-29-23(8-1)18-24-9-5-15-39-35(24)34(29)27-19-26(20-28(21-27)38-42-32-13-3-4-14-33(32)43-38)31-22-25-10-6-16-40-36(25)37-30(31)12-7-17-41-37;1-2-13-31-29(11-1)38-34(39-31)24-18-22(25-8-3-12-28-26(25)9-5-14-35-28)17-23(19-24)32-27-10-6-15-36-30(27)20-21-7-4-16-37-33(21)32/h1-34H;1-32H;1-22H;1-20H
InChIKeyASVOJFULRMMFLX-UHFFFAOYSA-N
MW2474.92 g/mol
LogP46.09
Rot. Bonds16

About 2-(3-anthracen-9-yl-5-perylen-2-ylphenyl)-1-phenylbenzimidazole;6-[3-anthracen-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2,3-diphenylquinoxaline;2-[3-benzo[g]quinolin-10-yl-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzoxazole;2-(3-pyrido[2,3-g]quinolin-5-yl-5-quinolin-5-ylphenyl)-1,3-benzoxazole

2-(3-anthracen-9-yl-5-perylen-2-ylphenyl)-1-phenylbenzimidazole;6-[3-anthracen-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2,3-diphenylquinoxaline;2-[3-benzo[g]quinolin-10-yl-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzoxazole;2-(3-pyrido[2,3-g]quinolin-5-yl-5-quinolin-5-ylphenyl)-1,3-benzoxazole (PubChem CID 157219787) has the molecular formula C178H108N14O2 and a molecular weight of 2474.92 g/mol. Its IUPAC name is 2-(3-anthracen-9-yl-5-perylen-2-ylphenyl)-1-phenylbenzimidazole;6-[3-anthracen-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2,3-diphenylquinoxaline;2-[3-benzo[g]quinolin-10-yl-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzoxazole;2-(3-pyrido[2,3-g]quinolin-5-yl-5-quinolin-5-ylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3-anthracen-9-yl-5-perylen-2-ylphenyl)-1-phenylbenzimidazole;6-[3-anthracen-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2,3-diphenylquinoxaline;2-[3-benzo[g]quinolin-10-yl-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzoxazole;2-(3-pyrido[2,3-g]quinolin-5-yl-5-quinolin-5-ylphenyl)-1,3-benzoxazole
PubChem CID157219787
Molecular FormulaC178H108N14O2
Molecular Weight2474.92 g/mol
Exact Mass2472.88
IUPAC Name2-(3-anthracen-9-yl-5-perylen-2-ylphenyl)-1-phenylbenzimidazole;6-[3-anthracen-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2,3-diphenylquinoxaline;2-[3-benzo[g]quinolin-10-yl-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzoxazole;2-(3-pyrido[2,3-g]quinolin-5-yl-5-quinolin-5-ylphenyl)-1,3-benzoxazole
SMILESc1ccc(-c2nc3ccc(-c4cc(-c5c6ccccc6cc6ccccc56)cc(-c5nc6ccccc6n5-c5ccccc5)c4)cc3nc2-c2ccccc2)cc1.c1ccc(-n2c(-c3cc(-c4cc5cccc6c7cccc8cccc(c(c4)c56)c87)cc(-c4c5ccccc5cc5ccccc45)c3)nc3ccccc32)cc1.c1ccc2c(-c3cc(-c4nc5ccccc5o4)cc(-c4cc5cccnc5c5ncccc45)c3)c3ncccc3cc2c1.c1cnc2c(-c3cc(-c4nc5ccccc5o4)cc(-c4cccc5ncccc45)c3)c3cccnc3cc2c1
InChIInChI=1S/C53H34N4.C53H32N2.C38H22N4O.C34H20N4O/c1-4-16-35(17-5-1)51-52(36-18-6-2-7-19-36)55-48-34-37(28-29-46(48)54-51)40-31-41(50-44-24-12-10-20-38(44)30-39-21-11-13-25-45(39)50)33-42(32-40)53-56-47-26-14-15-27-49(47)57(53)43-22-8-3-9-23-43;1-2-18-41(19-3-1)55-49-26-9-8-25-48(49)54-53(55)40-30-37(29-39(31-40)52-42-20-6-4-13-34(42)27-35-14-5-7-21-43(35)52)38-28-36-17-12-23-45-44-22-10-15-33-16-11-24-46(50(33)44)47(32-38)51(36)45;1-2-11-29-23(8-1)18-24-9-5-15-39-35(24)34(29)27-19-26(20-28(21-27)38-42-32-13-3-4-14-33(32)43-38)31-22-25-10-6-16-40-36(25)37-30(31)12-7-17-41-37;1-2-13-31-29(11-1)38-34(39-31)24-18-22(25-8-3-12-28-26(25)9-5-14-35-28)17-23(19-24)32-27-10-6-15-36-30(27)20-21-7-4-16-37-33(21)32/h1-34H;1-32H;1-22H;1-20H
InChIKeyASVOJFULRMMFLX-UHFFFAOYSA-N
XLogP46.09
TPSA190.82 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002474.92
LogP ≤ 546.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(3-anthracen-9-yl-5-perylen-2-ylphenyl)-1-phenylbenzimidazole;6-[3-anthracen-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2,3-diphenylquinoxaline;2-[3-benzo[g]quinolin-10-yl-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzoxazole;2-(3-pyrido[2,3-g]quinolin-5-yl-5-quinolin-5-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
(2S,4R)-N-[8-[5-[[3-acetyl-1-[2-[(2S,4R)-4-fluoro-2-[(5-phenylmethoxy-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]amino]pyrimidin-2-yl]naphthalen-2-yl]-1-[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-4-fluoropyrrolidine-2-carboxamide
CID 144912177
CID 157119212
CID 157119212
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
2-N-(1,3-benzoxazol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-yl]hydroxylamine;6-(2-methylbenzimidazol-1-yl)-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydroxylamine
CID 158799670
8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-[1-(2-phenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(trifluoromethyl)-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)
CID 159309419
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-anthracen-9-yl-5-perylen-2-ylphenyl)-1-phenylbenzimidazole;6-[3-anthracen-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2,3-diphenylquinoxaline;2-[3-benzo[g]quinolin-10-yl-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzoxazole;2-(3-pyrido[2,3-g]quinolin-5-yl-5-quinolin-5-ylphenyl)-1,3-benzoxazole?
The IUPAC name of 2-(3-anthracen-9-yl-5-perylen-2-ylphenyl)-1-phenylbenzimidazole;6-[3-anthracen-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2,3-diphenylquinoxaline;2-[3-benzo[g]quinolin-10-yl-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzoxazole;2-(3-pyrido[2,3-g]quinolin-5-yl-5-quinolin-5-ylphenyl)-1,3-benzoxazole (CID 157219787) is 2-(3-anthracen-9-yl-5-perylen-2-ylphenyl)-1-phenylbenzimidazole;6-[3-anthracen-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2,3-diphenylquinoxaline;2-[3-benzo[g]quinolin-10-yl-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzoxazole;2-(3-pyrido[2,3-g]quinolin-5-yl-5-quinolin-5-ylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(3-anthracen-9-yl-5-perylen-2-ylphenyl)-1-phenylbenzimidazole;6-[3-anthracen-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2,3-diphenylquinoxaline;2-[3-benzo[g]quinolin-10-yl-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzoxazole;2-(3-pyrido[2,3-g]quinolin-5-yl-5-quinolin-5-ylphenyl)-1,3-benzoxazole?
The canonical SMILES for 2-(3-anthracen-9-yl-5-perylen-2-ylphenyl)-1-phenylbenzimidazole;6-[3-anthracen-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2,3-diphenylquinoxaline;2-[3-benzo[g]quinolin-10-yl-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzoxazole;2-(3-pyrido[2,3-g]quinolin-5-yl-5-quinolin-5-ylphenyl)-1,3-benzoxazole is c1ccc(-c2nc3ccc(-c4cc(-c5c6ccccc6cc6ccccc56)cc(-c5nc6ccccc6n5-c5ccccc5)c4)cc3nc2-c2ccccc2)cc1.c1ccc(-n2c(-c3cc(-c4cc5cccc6c7cccc8cccc(c(c4)c56)c87)cc(-c4c5ccccc5cc5ccccc45)c3)nc3ccccc32)cc1.c1ccc2c(-c3cc(-c4nc5ccccc5o4)cc(-c4cc5cccnc5c5ncccc45)c3)c3ncccc3cc2c1.c1cnc2c(-c3cc(-c4nc5ccccc5o4)cc(-c4cccc5ncccc45)c3)c3cccnc3cc2c1.
What is the InChIKey of 2-(3-anthracen-9-yl-5-perylen-2-ylphenyl)-1-phenylbenzimidazole;6-[3-anthracen-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2,3-diphenylquinoxaline;2-[3-benzo[g]quinolin-10-yl-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzoxazole;2-(3-pyrido[2,3-g]quinolin-5-yl-5-quinolin-5-ylphenyl)-1,3-benzoxazole?
The InChIKey is ASVOJFULRMMFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4.C53H32N2.C38H22N4O.C34H20N4O/c1-4-16-35(17-5-1)51-52(36-18-6-2-7-19-36)55-48-34-37(28-29-46(48)54-51)40-31-41(50-44-24-12-10-20-38(44)30-39-21-11-13-25-45(39)50)33-42(32-40)53-56-47-26-14-15-27-49(47)57(53)43-22-8-3-9-23-43;1-2-18-41(19-3-1)55-49-26-9-8-25-48(49)54-53(55)40-30-37(29-39(31-40)52-42-20-6-4-13-34(42)27-35-14-5-7-21-43(35)52)38-28-36-17-12-23-45-44-22-10-15-33-16-11-24-46(50(33)44)47(32-38)51(36)45;1-2-11-29-23(8-1)18-24-9-5-15-39-35(24)34(29)27-19-26(20-28(21-27)38-42-32-13-3-4-14-33(32)43-38)31-22-25-10-6-16-40-36(25)37-30(31)12-7-17-41-37;1-2-13-31-29(11-1)38-34(39-31)24-18-22(25-8-3-12-28-26(25)9-5-14-35-28)17-23(19-24)32-27-10-6-15-36-30(27)20-21-7-4-16-37-33(21)32/h1-34H;1-32H;1-22H;1-20H.
What are the key properties of 2-(3-anthracen-9-yl-5-perylen-2-ylphenyl)-1-phenylbenzimidazole;6-[3-anthracen-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2,3-diphenylquinoxaline;2-[3-benzo[g]quinolin-10-yl-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzoxazole;2-(3-pyrido[2,3-g]quinolin-5-yl-5-quinolin-5-ylphenyl)-1,3-benzoxazole?
2-(3-anthracen-9-yl-5-perylen-2-ylphenyl)-1-phenylbenzimidazole;6-[3-anthracen-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2,3-diphenylquinoxaline;2-[3-benzo[g]quinolin-10-yl-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzoxazole;2-(3-pyrido[2,3-g]quinolin-5-yl-5-quinolin-5-ylphenyl)-1,3-benzoxazole has a molecular weight of 2474.92 g/mol, XLogP of 46.09, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-anthracen-9-yl-5-perylen-2-ylphenyl)-1-phenylbenzimidazole;6-[3-anthracen-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2,3-diphenylquinoxaline;2-[3-benzo[g]quinolin-10-yl-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzoxazole;2-(3-pyrido[2,3-g]quinolin-5-yl-5-quinolin-5-ylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 157219787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).