6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline

C200H134N12S4 — CID 163617081

IUPAC6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5ccc(-c6nc7ccccc7c7c6sc6ccccc67)cc5)cc4)nc(-c4ccccc4)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5nc6ccccc6c6c5sc5ccccc56)c4)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5nc6ccccc6c6c5sc5ccccc56)c4)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5nc6ccccc6c6c5sc5ccccc56)c5ccccc45)n3)cc21
InChIInChI=1S/2C52H35N3S.C50H33N3S.C46H31N3S/c1-52(2)42-23-9-6-20-38(42)39-27-26-35(30-43(39)52)46-31-45(34-17-12-16-33(28-34)32-14-4-3-5-15-32)54-51(55-46)37-19-13-18-36(29-37)49-50-48(40-21-7-10-24-44(40)53-49)41-22-8-11-25-47(41)56-50;1-52(2)42-17-9-6-14-38(42)39-29-28-37(30-43(39)52)46-31-45(54-51(55-46)36-12-4-3-5-13-36)34-24-20-32(21-25-34)33-22-26-35(27-23-33)49-50-48(40-15-7-10-18-44(40)53-49)41-16-8-11-19-47(41)56-50;1-50(2)40-21-11-8-18-34(40)35-25-24-31(28-41(35)50)49-52-43(30-14-4-3-5-15-30)29-44(53-49)36-26-27-37(33-17-7-6-16-32(33)36)47-48-46(38-19-9-12-22-42(38)51-47)39-20-10-13-23-45(39)54-48;1-46(2)36-20-9-6-17-32(36)33-24-23-29(26-37(33)46)40-27-39(28-13-4-3-5-14-28)48-45(49-40)31-16-12-15-30(25-31)43-44-42(34-18-7-10-21-38(34)47-43)35-19-8-11-22-41(35)50-44/h2*3-31H,1-2H3;3-29H,1-2H3;3-27H,1-2H3
InChIKeyHKXGRGUZFPOSAD-UHFFFAOYSA-N
MW2833.62 g/mol
LogP53.96
Rot. Bonds18

About 6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline

6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline (PubChem CID 163617081) has the molecular formula C200H134N12S4 and a molecular weight of 2833.62 g/mol. Its IUPAC name is 6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline.

Molecular Properties

Compound Name6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
PubChem CID163617081
Molecular FormulaC200H134N12S4
Molecular Weight2833.62 g/mol
Exact Mass2830.97
IUPAC Name6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5ccc(-c6nc7ccccc7c7c6sc6ccccc67)cc5)cc4)nc(-c4ccccc4)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5nc6ccccc6c6c5sc5ccccc56)c4)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5nc6ccccc6c6c5sc5ccccc56)c4)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5nc6ccccc6c6c5sc5ccccc56)c5ccccc45)n3)cc21
InChIInChI=1S/2C52H35N3S.C50H33N3S.C46H31N3S/c1-52(2)42-23-9-6-20-38(42)39-27-26-35(30-43(39)52)46-31-45(34-17-12-16-33(28-34)32-14-4-3-5-15-32)54-51(55-46)37-19-13-18-36(29-37)49-50-48(40-21-7-10-24-44(40)53-49)41-22-8-11-25-47(41)56-50;1-52(2)42-17-9-6-14-38(42)39-29-28-37(30-43(39)52)46-31-45(54-51(55-46)36-12-4-3-5-13-36)34-24-20-32(21-25-34)33-22-26-35(27-23-33)49-50-48(40-15-7-10-18-44(40)53-49)41-16-8-11-19-47(41)56-50;1-50(2)40-21-11-8-18-34(40)35-25-24-31(28-41(35)50)49-52-43(30-14-4-3-5-15-30)29-44(53-49)36-26-27-37(33-17-7-6-16-32(33)36)47-48-46(38-19-9-12-22-42(38)51-47)39-20-10-13-23-45(39)54-48;1-46(2)36-20-9-6-17-32(36)33-24-23-29(26-37(33)46)40-27-39(28-13-4-3-5-14-28)48-45(49-40)31-16-12-15-30(25-31)43-44-42(34-18-7-10-21-38(34)47-43)35-19-8-11-22-41(35)50-44/h2*3-31H,1-2H3;3-29H,1-2H3;3-27H,1-2H3
InChIKeyHKXGRGUZFPOSAD-UHFFFAOYSA-N
XLogP53.96
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002833.62
LogP ≤ 553.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline with MolForge

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Related Compounds

6-[4-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 163985838
10-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 163571465
10-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-2-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-9-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[6-(4-phenanthren-2-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 163571462
4-(3-dibenzothiophen-1-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585757
4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584152
4-dibenzothiophen-4-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168776821
6-[3-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenyl-[1]benzothiolo[2,3-c]quinoline;6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-1-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline
CID 160744200
4-[4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine
CID 168776847
6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 129087636
6-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-3-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 157061104
4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzothiophen-4-ylphenyl)-6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 157448144
4-[3-dibenzothiophen-2-yl-5-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585075

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline?
The IUPAC name of 6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline (CID 163617081) is 6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline.
What is the SMILES notation for 6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline?
The canonical SMILES for 6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5ccc(-c6nc7ccccc7c7c6sc6ccccc67)cc5)cc4)nc(-c4ccccc4)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5nc6ccccc6c6c5sc5ccccc56)c4)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5nc6ccccc6c6c5sc5ccccc56)c4)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5nc6ccccc6c6c5sc5ccccc56)c5ccccc45)n3)cc21.
What is the InChIKey of 6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline?
The InChIKey is HKXGRGUZFPOSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H35N3S.C50H33N3S.C46H31N3S/c1-52(2)42-23-9-6-20-38(42)39-27-26-35(30-43(39)52)46-31-45(34-17-12-16-33(28-34)32-14-4-3-5-15-32)54-51(55-46)37-19-13-18-36(29-37)49-50-48(40-21-7-10-24-44(40)53-49)41-22-8-11-25-47(41)56-50;1-52(2)42-17-9-6-14-38(42)39-29-28-37(30-43(39)52)46-31-45(54-51(55-46)36-12-4-3-5-13-36)34-24-20-32(21-25-34)33-22-26-35(27-23-33)49-50-48(40-15-7-10-18-44(40)53-49)41-16-8-11-19-47(41)56-50;1-50(2)40-21-11-8-18-34(40)35-25-24-31(28-41(35)50)49-52-43(30-14-4-3-5-15-30)29-44(53-49)36-26-27-37(33-17-7-6-16-32(33)36)47-48-46(38-19-9-12-22-42(38)51-47)39-20-10-13-23-45(39)54-48;1-46(2)36-20-9-6-17-32(36)33-24-23-29(26-37(33)46)40-27-39(28-13-4-3-5-14-28)48-45(49-40)31-16-12-15-30(25-31)43-44-42(34-18-7-10-21-38(34)47-43)35-19-8-11-22-41(35)50-44/h2*3-31H,1-2H3;3-29H,1-2H3;3-27H,1-2H3.
What are the key properties of 6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline?
6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline has a molecular weight of 2833.62 g/mol, XLogP of 53.96, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline is sourced from PubChem (CID 163617081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).