5-[3-benzo[g]quinolin-10-yl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-[10-[3-benzo[h]quinolin-5-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]anthracen-9-yl]-1,3-benzothiazole;2-[4-[4-phenanthren-9-yl-6-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphthalen-1-yl]-[1,3]oxazolo[4,5-b]pyridine

C155H94N14OS — CID 157146699

IUPAC5-[3-benzo[g]quinolin-10-yl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-[10-[3-benzo[h]quinolin-5-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]anthracen-9-yl]-1,3-benzothiazole;2-[4-[4-phenanthren-9-yl-6-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphthalen-1-yl]-[1,3]oxazolo[4,5-b]pyridine
SMILESc1ccc(-c2nc3ccccc3nc2-c2cc(-c3cc4ccccc4c4ccccc34)cc(-c3ccc(-c4nc5ncccc5o4)c4ccccc34)n2)cc1.c1ccc(-n2c(-c3ccc(-c4cc(-c5cc6cccnc6c6ncccc56)cc(-c5c6ccccc6cc6cccnc56)c4)cc3)nc3ccccc32)cc1.c1cncc(-c2cc(-c3cccnc3)cc(-c3cc(-c4c5ccccc5c(-c5nc6ccccc6s5)c5ccccc45)cc(-c4cc5ccccc5c5ncccc45)c3)c2)c1
InChIInChI=1S/C56H34N4S.C50H31N5.C49H29N5O/c1-2-15-44-35(12-1)32-50(49-20-11-25-59-55(44)49)42-29-41(40-27-38(36-13-9-23-57-33-36)26-39(28-40)37-14-10-24-58-34-37)30-43(31-42)53-45-16-3-5-18-47(45)54(48-19-6-4-17-46(48)53)56-60-51-21-7-8-22-52(51)61-56;1-2-14-40(15-3-1)55-45-19-7-6-18-44(45)54-50(55)33-22-20-32(21-23-33)37-28-38(43-31-36-13-9-25-52-48(36)49-42(43)17-10-26-53-49)30-39(29-37)46-41-16-5-4-11-34(41)27-35-12-8-24-51-47(35)46;1-2-13-30(14-3-1)46-47(53-42-22-11-10-21-41(42)52-46)44-29-32(40-27-31-15-4-5-16-33(31)34-17-6-9-20-37(34)40)28-43(51-44)38-24-25-39(36-19-8-7-18-35(36)38)49-54-48-45(55-49)23-12-26-50-48/h1-34H;1-31H;1-29H
InChIKeyAKUBJHNTWBMSMV-UHFFFAOYSA-N
MW2200.62 g/mol
LogP39.94
Rot. Bonds16

About 5-[3-benzo[g]quinolin-10-yl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-[10-[3-benzo[h]quinolin-5-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]anthracen-9-yl]-1,3-benzothiazole;2-[4-[4-phenanthren-9-yl-6-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphthalen-1-yl]-[1,3]oxazolo[4,5-b]pyridine

5-[3-benzo[g]quinolin-10-yl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-[10-[3-benzo[h]quinolin-5-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]anthracen-9-yl]-1,3-benzothiazole;2-[4-[4-phenanthren-9-yl-6-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphthalen-1-yl]-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 157146699) has the molecular formula C155H94N14OS and a molecular weight of 2200.62 g/mol. Its IUPAC name is 5-[3-benzo[g]quinolin-10-yl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-[10-[3-benzo[h]quinolin-5-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]anthracen-9-yl]-1,3-benzothiazole;2-[4-[4-phenanthren-9-yl-6-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphthalen-1-yl]-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-[3-benzo[g]quinolin-10-yl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-[10-[3-benzo[h]quinolin-5-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]anthracen-9-yl]-1,3-benzothiazole;2-[4-[4-phenanthren-9-yl-6-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphthalen-1-yl]-[1,3]oxazolo[4,5-b]pyridine
PubChem CID157146699
Molecular FormulaC155H94N14OS
Molecular Weight2200.62 g/mol
Exact Mass2198.75
IUPAC Name5-[3-benzo[g]quinolin-10-yl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-[10-[3-benzo[h]quinolin-5-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]anthracen-9-yl]-1,3-benzothiazole;2-[4-[4-phenanthren-9-yl-6-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphthalen-1-yl]-[1,3]oxazolo[4,5-b]pyridine
SMILESc1ccc(-c2nc3ccccc3nc2-c2cc(-c3cc4ccccc4c4ccccc34)cc(-c3ccc(-c4nc5ncccc5o4)c4ccccc34)n2)cc1.c1ccc(-n2c(-c3ccc(-c4cc(-c5cc6cccnc6c6ncccc56)cc(-c5c6ccccc6cc6cccnc56)c4)cc3)nc3ccccc32)cc1.c1cncc(-c2cc(-c3cccnc3)cc(-c3cc(-c4c5ccccc5c(-c5nc6ccccc6s5)c5ccccc45)cc(-c4cc5ccccc5c5ncccc45)c3)c2)c1
InChIInChI=1S/C56H34N4S.C50H31N5.C49H29N5O/c1-2-15-44-35(12-1)32-50(49-20-11-25-59-55(44)49)42-29-41(40-27-38(36-13-9-23-57-33-36)26-39(28-40)37-14-10-24-58-34-37)30-43(31-42)53-45-16-3-5-18-47(45)54(48-19-6-4-17-46(48)53)56-60-51-21-7-8-22-52(51)61-56;1-2-14-40(15-3-1)55-45-19-7-6-18-44(45)54-50(55)33-22-20-32(21-23-33)37-28-38(43-31-36-13-9-25-52-48(36)49-42(43)17-10-26-53-49)30-39(29-37)46-41-16-5-4-11-34(41)27-35-12-8-24-51-47(35)46;1-2-13-30(14-3-1)46-47(53-42-22-11-10-21-41(42)52-46)44-29-32(40-27-31-15-4-5-16-33(31)34-17-6-9-20-37(34)40)28-43(51-44)38-24-25-39(36-19-8-7-18-35(36)38)49-54-48-45(55-49)23-12-26-50-48/h1-34H;1-31H;1-29H
InChIKeyAKUBJHNTWBMSMV-UHFFFAOYSA-N
XLogP39.94
TPSA185.64 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002200.62
LogP ≤ 539.94
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 5-[3-benzo[g]quinolin-10-yl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-[10-[3-benzo[h]quinolin-5-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]anthracen-9-yl]-1,3-benzothiazole;2-[4-[4-phenanthren-9-yl-6-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphthalen-1-yl]-[1,3]oxazolo[4,5-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-benzo[g]quinolin-10-yl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-[10-[3-benzo[h]quinolin-5-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]anthracen-9-yl]-1,3-benzothiazole;2-[4-[4-phenanthren-9-yl-6-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphthalen-1-yl]-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 5-[3-benzo[g]quinolin-10-yl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-[10-[3-benzo[h]quinolin-5-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]anthracen-9-yl]-1,3-benzothiazole;2-[4-[4-phenanthren-9-yl-6-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphthalen-1-yl]-[1,3]oxazolo[4,5-b]pyridine (CID 157146699) is 5-[3-benzo[g]quinolin-10-yl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-[10-[3-benzo[h]quinolin-5-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]anthracen-9-yl]-1,3-benzothiazole;2-[4-[4-phenanthren-9-yl-6-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphthalen-1-yl]-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 5-[3-benzo[g]quinolin-10-yl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-[10-[3-benzo[h]quinolin-5-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]anthracen-9-yl]-1,3-benzothiazole;2-[4-[4-phenanthren-9-yl-6-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphthalen-1-yl]-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 5-[3-benzo[g]quinolin-10-yl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-[10-[3-benzo[h]quinolin-5-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]anthracen-9-yl]-1,3-benzothiazole;2-[4-[4-phenanthren-9-yl-6-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphthalen-1-yl]-[1,3]oxazolo[4,5-b]pyridine is c1ccc(-c2nc3ccccc3nc2-c2cc(-c3cc4ccccc4c4ccccc34)cc(-c3ccc(-c4nc5ncccc5o4)c4ccccc34)n2)cc1.c1ccc(-n2c(-c3ccc(-c4cc(-c5cc6cccnc6c6ncccc56)cc(-c5c6ccccc6cc6cccnc56)c4)cc3)nc3ccccc32)cc1.c1cncc(-c2cc(-c3cccnc3)cc(-c3cc(-c4c5ccccc5c(-c5nc6ccccc6s5)c5ccccc45)cc(-c4cc5ccccc5c5ncccc45)c3)c2)c1.
What is the InChIKey of 5-[3-benzo[g]quinolin-10-yl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-[10-[3-benzo[h]quinolin-5-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]anthracen-9-yl]-1,3-benzothiazole;2-[4-[4-phenanthren-9-yl-6-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphthalen-1-yl]-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is AKUBJHNTWBMSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4S.C50H31N5.C49H29N5O/c1-2-15-44-35(12-1)32-50(49-20-11-25-59-55(44)49)42-29-41(40-27-38(36-13-9-23-57-33-36)26-39(28-40)37-14-10-24-58-34-37)30-43(31-42)53-45-16-3-5-18-47(45)54(48-19-6-4-17-46(48)53)56-60-51-21-7-8-22-52(51)61-56;1-2-14-40(15-3-1)55-45-19-7-6-18-44(45)54-50(55)33-22-20-32(21-23-33)37-28-38(43-31-36-13-9-25-52-48(36)49-42(43)17-10-26-53-49)30-39(29-37)46-41-16-5-4-11-34(41)27-35-12-8-24-51-47(35)46;1-2-13-30(14-3-1)46-47(53-42-22-11-10-21-41(42)52-46)44-29-32(40-27-31-15-4-5-16-33(31)34-17-6-9-20-37(34)40)28-43(51-44)38-24-25-39(36-19-8-7-18-35(36)38)49-54-48-45(55-49)23-12-26-50-48/h1-34H;1-31H;1-29H.
What are the key properties of 5-[3-benzo[g]quinolin-10-yl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-[10-[3-benzo[h]quinolin-5-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]anthracen-9-yl]-1,3-benzothiazole;2-[4-[4-phenanthren-9-yl-6-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphthalen-1-yl]-[1,3]oxazolo[4,5-b]pyridine?
5-[3-benzo[g]quinolin-10-yl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-[10-[3-benzo[h]quinolin-5-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]anthracen-9-yl]-1,3-benzothiazole;2-[4-[4-phenanthren-9-yl-6-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphthalen-1-yl]-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 2200.62 g/mol, XLogP of 39.94, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-benzo[g]quinolin-10-yl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-[10-[3-benzo[h]quinolin-5-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]anthracen-9-yl]-1,3-benzothiazole;2-[4-[4-phenanthren-9-yl-6-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphthalen-1-yl]-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 157146699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).