2-[4-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)naphthalen-1-yl]-1,3-benzothiazole;2-[4-(3-isoquinolin-8-yl-5-pyridin-3-ylphenyl)naphthalen-1-yl]-1,3-benzoxazole;2-[4-[6-(1,10-phenanthrolin-5-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-[4-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-1,3-benzothiazole

C141H85N19O2S2 — CID 159303956

IUPAC2-[4-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)naphthalen-1-yl]-1,3-benzothiazole;2-[4-(3-isoquinolin-8-yl-5-pyridin-3-ylphenyl)naphthalen-1-yl]-1,3-benzoxazole;2-[4-[6-(1,10-phenanthrolin-5-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-[4-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-1,3-benzothiazole
SMILESc1ccc2c(-c3cc(-c4cncc5ccccc45)nc(-c4ccc(-c5nc6ccccc6s5)c5ccccc45)c3)cccc2c1.c1cnc(-c2nc(-c3cccnc3)nc(-c3ccc(-c4nc5ccccc5s4)c4ccccc34)n2)nc1.c1cncc(-c2cc(-c3cccc4ccncc34)cc(-c3ccc(-c4nc5ccccc5o4)c4ccccc34)c2)c1.c1cncc(-c2nc(-c3ccc(-c4nc5ccccc5o4)cc3)cc(-c3cc4cccnc4c4ncccc34)n2)c1
InChIInChI=1S/C41H25N3S.C37H23N3O.C34H20N6O.C29H17N7S/c1-3-13-29-26(10-1)12-9-17-31(29)28-22-38(43-39(23-28)36-25-42-24-27-11-2-4-14-30(27)36)34-20-21-35(33-16-6-5-15-32(33)34)41-44-37-18-7-8-19-40(37)45-41;1-2-10-32-31(9-1)30(14-15-33(32)37-40-35-12-3-4-13-36(35)41-37)28-20-26(25-8-6-17-38-22-25)19-27(21-28)29-11-5-7-24-16-18-39-23-34(24)29;1-2-10-30-27(9-1)40-34(41-30)22-13-11-21(12-14-22)28-19-29(39-33(38-28)24-7-3-15-35-20-24)26-18-23-6-4-16-36-31(23)32-25(26)8-5-17-37-32;1-2-9-20-19(8-1)21(12-13-22(20)29-33-23-10-3-4-11-24(23)37-29)26-34-25(18-7-5-14-30-17-18)35-28(36-26)27-31-15-6-16-32-27/h1-25H;1-23H;1-20H;1-17H
InChIKeyLBRIEDGPMUWLOD-UHFFFAOYSA-N
MW2141.50 g/mol
LogP35.07
Rot. Bonds16

About 2-[4-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)naphthalen-1-yl]-1,3-benzothiazole;2-[4-(3-isoquinolin-8-yl-5-pyridin-3-ylphenyl)naphthalen-1-yl]-1,3-benzoxazole;2-[4-[6-(1,10-phenanthrolin-5-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-[4-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-1,3-benzothiazole

2-[4-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)naphthalen-1-yl]-1,3-benzothiazole;2-[4-(3-isoquinolin-8-yl-5-pyridin-3-ylphenyl)naphthalen-1-yl]-1,3-benzoxazole;2-[4-[6-(1,10-phenanthrolin-5-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-[4-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-1,3-benzothiazole (PubChem CID 159303956) has the molecular formula C141H85N19O2S2 and a molecular weight of 2141.50 g/mol. Its IUPAC name is 2-[4-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)naphthalen-1-yl]-1,3-benzothiazole;2-[4-(3-isoquinolin-8-yl-5-pyridin-3-ylphenyl)naphthalen-1-yl]-1,3-benzoxazole;2-[4-[6-(1,10-phenanthrolin-5-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-[4-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)naphthalen-1-yl]-1,3-benzothiazole;2-[4-(3-isoquinolin-8-yl-5-pyridin-3-ylphenyl)naphthalen-1-yl]-1,3-benzoxazole;2-[4-[6-(1,10-phenanthrolin-5-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-[4-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-1,3-benzothiazole
PubChem CID159303956
Molecular FormulaC141H85N19O2S2
Molecular Weight2141.50 g/mol
Exact Mass2139.66
IUPAC Name2-[4-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)naphthalen-1-yl]-1,3-benzothiazole;2-[4-(3-isoquinolin-8-yl-5-pyridin-3-ylphenyl)naphthalen-1-yl]-1,3-benzoxazole;2-[4-[6-(1,10-phenanthrolin-5-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-[4-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-1,3-benzothiazole
SMILESc1ccc2c(-c3cc(-c4cncc5ccccc45)nc(-c4ccc(-c5nc6ccccc6s5)c5ccccc45)c3)cccc2c1.c1cnc(-c2nc(-c3cccnc3)nc(-c3ccc(-c4nc5ccccc5s4)c4ccccc34)n2)nc1.c1cncc(-c2cc(-c3cccc4ccncc34)cc(-c3ccc(-c4nc5ccccc5o4)c4ccccc34)c2)c1.c1cncc(-c2nc(-c3ccc(-c4nc5ccccc5o4)cc3)cc(-c3cc4cccnc4c4ncccc34)n2)c1
InChIInChI=1S/C41H25N3S.C37H23N3O.C34H20N6O.C29H17N7S/c1-3-13-29-26(10-1)12-9-17-31(29)28-22-38(43-39(23-28)36-25-42-24-27-11-2-4-14-30(27)36)34-20-21-35(33-16-6-5-15-32(33)34)41-44-37-18-7-8-19-40(37)45-41;1-2-10-32-31(9-1)30(14-15-33(32)37-40-35-12-3-4-13-36(35)41-37)28-20-26(25-8-6-17-38-22-25)19-27(21-28)29-11-5-7-24-16-18-39-23-34(24)29;1-2-10-30-27(9-1)40-34(41-30)22-13-11-21(12-14-22)28-19-29(39-33(38-28)24-7-3-15-35-20-24)26-18-23-6-4-16-36-31(23)32-25(26)8-5-17-37-32;1-2-9-20-19(8-1)21(12-13-22(20)29-33-23-10-3-4-11-24(23)37-29)26-34-25(18-7-5-14-30-17-18)35-28(36-26)27-31-15-6-16-32-27/h1-25H;1-23H;1-20H;1-17H
InChIKeyLBRIEDGPMUWLOD-UHFFFAOYSA-N
XLogP35.07
TPSA271.19 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds16
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002141.50
LogP ≤ 535.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 2-[4-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)naphthalen-1-yl]-1,3-benzothiazole;2-[4-(3-isoquinolin-8-yl-5-pyridin-3-ylphenyl)naphthalen-1-yl]-1,3-benzoxazole;2-[4-[6-(1,10-phenanthrolin-5-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-[4-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-1,3-benzothiazole with MolForge

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Related Compounds

2-[4-[4,6-bis(4-isoquinolin-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-isoquinolin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-isoquinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-quinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 160937402
2-[4-anthracen-9-yl-6-[3,5-di(carbazol-9-yl)phenyl]-2-pyridinyl]-1,3-benzoxazole;2-[3-carbazol-9-yl-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzothiazole;2-[6-[4-(1,1-dimethyl-2,4,5-triphenylsilol-3-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]-1,3-benzoxazole
CID 162076297
5-[2-(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylnaphthalen-1-yl)pyrimidin-4-yl]-1,10-phenanthroline
CID 162774161
2-[10-[3-(1,3-benzothiazol-2-yl)-5-(1,10-phenanthrolin-5-yl)phenyl]anthracen-9-yl]-1,3-benzoxazole;2-[3-naphthalen-1-yl-5-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]phenyl]-1,3-benzoxazole;1-phenyl-2-[2-pyren-1-yl-6-(3-pyridin-4-ylphenyl)pyrimidin-4-yl]benzimidazole
CID 157499048
6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-(2-phenyl-1,3-benzoxazol-6-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole;6-[4-[3,5-di(pyrimidin-5-yl)phenyl]-6-(2-phenyl-1,3-benzoxazol-6-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole;6-[4-(4-isoquinolin-1-ylphenyl)-6-(2-phenyl-1,3-benzoxazol-6-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole;6-[4-(4-isoquinolin-5-ylphenyl)-6-(2-phenyl-1,3-benzoxazol-6-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole;6-[4-(4-isoquinolin-8-ylphenyl)-6-(2-phenyl-1,3-benzoxazol-6-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole;2-phenyl-6-[4-(2-phenyl-1,3-benzoxazol-6-yl)-6-(4-quinolin-8-ylphenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 157368837
2,6-diphenyl-4-(4-phenylphenyl)pyridine;2,6-diphenyl-4-(4-pyridin-3-ylphenyl)pyridine;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]isoquinoline;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 160905421
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-1-yl-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130261906
8-[3-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine
CID 142297990
4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 171585089
2-[3-(1,10-phenanthrolin-5-yl)-5-(10-phenylanthracen-9-yl)phenyl]-1,3-benzothiazole
CID 58480026
1-(4-isoquinolin-4-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-5-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-8-ylphenyl)-3-phenylbenzo[f]quinoline;3-phenyl-1-(4-quinolin-8-ylphenyl)benzo[f]quinoline
CID 159276112
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 171584662

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)naphthalen-1-yl]-1,3-benzothiazole;2-[4-(3-isoquinolin-8-yl-5-pyridin-3-ylphenyl)naphthalen-1-yl]-1,3-benzoxazole;2-[4-[6-(1,10-phenanthrolin-5-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-[4-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-1,3-benzothiazole?
The IUPAC name of 2-[4-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)naphthalen-1-yl]-1,3-benzothiazole;2-[4-(3-isoquinolin-8-yl-5-pyridin-3-ylphenyl)naphthalen-1-yl]-1,3-benzoxazole;2-[4-[6-(1,10-phenanthrolin-5-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-[4-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-1,3-benzothiazole (CID 159303956) is 2-[4-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)naphthalen-1-yl]-1,3-benzothiazole;2-[4-(3-isoquinolin-8-yl-5-pyridin-3-ylphenyl)naphthalen-1-yl]-1,3-benzoxazole;2-[4-[6-(1,10-phenanthrolin-5-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-[4-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[4-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)naphthalen-1-yl]-1,3-benzothiazole;2-[4-(3-isoquinolin-8-yl-5-pyridin-3-ylphenyl)naphthalen-1-yl]-1,3-benzoxazole;2-[4-[6-(1,10-phenanthrolin-5-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-[4-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[4-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)naphthalen-1-yl]-1,3-benzothiazole;2-[4-(3-isoquinolin-8-yl-5-pyridin-3-ylphenyl)naphthalen-1-yl]-1,3-benzoxazole;2-[4-[6-(1,10-phenanthrolin-5-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-[4-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-1,3-benzothiazole is c1ccc2c(-c3cc(-c4cncc5ccccc45)nc(-c4ccc(-c5nc6ccccc6s5)c5ccccc45)c3)cccc2c1.c1cnc(-c2nc(-c3cccnc3)nc(-c3ccc(-c4nc5ccccc5s4)c4ccccc34)n2)nc1.c1cncc(-c2cc(-c3cccc4ccncc34)cc(-c3ccc(-c4nc5ccccc5o4)c4ccccc34)c2)c1.c1cncc(-c2nc(-c3ccc(-c4nc5ccccc5o4)cc3)cc(-c3cc4cccnc4c4ncccc34)n2)c1.
What is the InChIKey of 2-[4-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)naphthalen-1-yl]-1,3-benzothiazole;2-[4-(3-isoquinolin-8-yl-5-pyridin-3-ylphenyl)naphthalen-1-yl]-1,3-benzoxazole;2-[4-[6-(1,10-phenanthrolin-5-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-[4-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-1,3-benzothiazole?
The InChIKey is LBRIEDGPMUWLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3S.C37H23N3O.C34H20N6O.C29H17N7S/c1-3-13-29-26(10-1)12-9-17-31(29)28-22-38(43-39(23-28)36-25-42-24-27-11-2-4-14-30(27)36)34-20-21-35(33-16-6-5-15-32(33)34)41-44-37-18-7-8-19-40(37)45-41;1-2-10-32-31(9-1)30(14-15-33(32)37-40-35-12-3-4-13-36(35)41-37)28-20-26(25-8-6-17-38-22-25)19-27(21-28)29-11-5-7-24-16-18-39-23-34(24)29;1-2-10-30-27(9-1)40-34(41-30)22-13-11-21(12-14-22)28-19-29(39-33(38-28)24-7-3-15-35-20-24)26-18-23-6-4-16-36-31(23)32-25(26)8-5-17-37-32;1-2-9-20-19(8-1)21(12-13-22(20)29-33-23-10-3-4-11-24(23)37-29)26-34-25(18-7-5-14-30-17-18)35-28(36-26)27-31-15-6-16-32-27/h1-25H;1-23H;1-20H;1-17H.
What are the key properties of 2-[4-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)naphthalen-1-yl]-1,3-benzothiazole;2-[4-(3-isoquinolin-8-yl-5-pyridin-3-ylphenyl)naphthalen-1-yl]-1,3-benzoxazole;2-[4-[6-(1,10-phenanthrolin-5-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-[4-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-1,3-benzothiazole?
2-[4-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)naphthalen-1-yl]-1,3-benzothiazole;2-[4-(3-isoquinolin-8-yl-5-pyridin-3-ylphenyl)naphthalen-1-yl]-1,3-benzoxazole;2-[4-[6-(1,10-phenanthrolin-5-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-[4-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-1,3-benzothiazole has a molecular weight of 2141.50 g/mol, XLogP of 35.07, 16 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)naphthalen-1-yl]-1,3-benzothiazole;2-[4-(3-isoquinolin-8-yl-5-pyridin-3-ylphenyl)naphthalen-1-yl]-1,3-benzoxazole;2-[4-[6-(1,10-phenanthrolin-5-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-[4-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 159303956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).