6'-chloro-4-N-dibenzothiophen-2-yl-3-N'-(4-naphthalen-2-yldibenzofuran-2-yl)-4-N-(1-phenyldibenzofuran-3-yl)-3-N'-(4-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-3',4-diamine;6'-chloro-4-N-dibenzothiophen-2-yl-3-N'-phenyl-4-N-(1-phenyldibenzofuran-3-yl)-3-N'-(1-phenyldibenzothiophen-3-yl)spiro[fluorene-9,9'-thioxanthene]-3',4-diamine;N-[5'-chloro-3-[4-(N-(1-phenyldibenzothiophen-2-yl)anilino)phenyl]spiro[fluorene-9,9'-thioxanthene]-3'-yl]-N,4-diphenyldibenzofuran-2-amine;3-(4-chlorophenyl)-3-N',5-N'-diphenyl-5-N'-(3-phenyldibenzofuran-1-yl)-3-N'-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3',5'-diamine

C326H198Cl4N8O6S8 — CID 159141093

About 6'-chloro-4-N-dibenzothiophen-2-yl-3-N'-(4-naphthalen-2-yldibenzofuran-2-yl)-4-N-(1-phenyldibenzofuran-3-yl)-3-N'-(4-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-3',4-diamine;6'-chloro-4-N-dibenzothiophen-2-yl-3-N'-phenyl-4-N-(1-phenyldibenzofuran-3-yl)-3-N'-(1-phenyldibenzothiophen-3-yl)spiro[fluorene-9,9'-thioxanthene]-3',4-diamine;N-[5'-chloro-3-[4-(N-(1-phenyldibenzothiophen-2-yl)anilino)phenyl]spiro[fluorene-9,9'-thioxanthene]-3'-yl]-N,4-diphenyldibenzofuran-2-amine;3-(4-chlorophenyl)-3-N',5-N'-diphenyl-5-N'-(3-phenyldibenzofuran-1-yl)-3-N'-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3',5'-diamine

6'-chloro-4-N-dibenzothiophen-2-yl-3-N'-(4-naphthalen-2-yldibenzofuran-2-yl)-4-N-(1-phenyldibenzofuran-3-yl)-3-N'-(4-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-3',4-diamine;6'-chloro-4-N-dibenzothiophen-2-yl-3-N'-phenyl-4-N-(1-phenyldibenzofuran-3-yl)-3-N'-(1-phenyldibenzothiophen-3-yl)spiro[fluorene-9,9'-thioxanthene]-3',4-diamine;N-[5'-chloro-3-[4-(N-(1-phenyldibenzothiophen-2-yl)anilino)phenyl]spiro[fluorene-9,9'-thioxanthene]-3'-yl]-N,4-diphenyldibenzofuran-2-amine;3-(4-chlorophenyl)-3-N',5-N'-diphenyl-5-N'-(3-phenyldibenzofuran-1-yl)-3-N'-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3',5'-diamine (PubChem CID 159141093) has the molecular formula C326H198Cl4N8O6S8 and a molecular weight of 4721.57 g/mol. Its IUPAC name is 6'-chloro-4-N-dibenzothiophen-2-yl-3-N'-(4-naphthalen-2-yldibenzofuran-2-yl)-4-N-(1-phenyldibenzofuran-3-yl)-3-N'-(4-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-3',4-diamine;6'-chloro-4-N-dibenzothiophen-2-yl-3-N'-phenyl-4-N-(1-phenyldibenzofuran-3-yl)-3-N'-(1-phenyldibenzothiophen-3-yl)spiro[fluorene-9,9'-thioxanthene]-3',4-diamine;N-[5'-chloro-3-[4-(N-(1-phenyldibenzothiophen-2-yl)anilino)phenyl]spiro[fluorene-9,9'-thioxanthene]-3'-yl]-N,4-diphenyldibenzofuran-2-amine;3-(4-chlorophenyl)-3-N',5-N'-diphenyl-5-N'-(3-phenyldibenzofuran-1-yl)-3-N'-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3',5'-diamine.

Molecular Properties

• Compound Name: 6'-chloro-4-N-dibenzothiophen-2-yl-3-N'-(4-naphthalen-2-yldibenzofuran-2-yl)-4-N-(1-phenyldibenzofuran-3-yl)-3-N'-(4-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-3',4-diamine;6'-chloro-4-N-dibenzothiophen-2-yl-3-N'-phenyl-4-N-(1-phenyldibenzofuran-3-yl)-3-N'-(1-phenyldibenzothiophen-3-yl)spiro[fluorene-9,9'-thioxanthene]-3',4-diamine;N-[5'-chloro-3-[4-(N-(1-phenyldibenzothiophen-2-yl)anilino)phenyl]spiro[fluorene-9,9'-thioxanthene]-3'-yl]-N,4-diphenyldibenzofuran-2-amine;3-(4-chlorophenyl)-3-N',5-N'-diphenyl-5-N'-(3-phenyldibenzofuran-1-yl)-3-N'-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3',5'-diamine
• PubChem CID: 159141093
• Molecular Formula: C326H198Cl4N8O6S8
• Molecular Weight: 4721.57 g/mol
• Exact Mass: 4715.20
• IUPAC Name: 6'-chloro-4-N-dibenzothiophen-2-yl-3-N'-(4-naphthalen-2-yldibenzofuran-2-yl)-4-N-(1-phenyldibenzofuran-3-yl)-3-N'-(4-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-3',4-diamine;6'-chloro-4-N-dibenzothiophen-2-yl-3-N'-phenyl-4-N-(1-phenyldibenzofuran-3-yl)-3-N'-(1-phenyldibenzothiophen-3-yl)spiro[fluorene-9,9'-thioxanthene]-3',4-diamine;N-[5'-chloro-3-[4-(N-(1-phenyldibenzothiophen-2-yl)anilino)phenyl]spiro[fluorene-9,9'-thioxanthene]-3'-yl]-N,4-diphenyldibenzofuran-2-amine;3-(4-chlorophenyl)-3-N',5-N'-diphenyl-5-N'-(3-phenyldibenzofuran-1-yl)-3-N'-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3',5'-diamine
• SMILES: Clc1ccc(-c2ccc3c(c2)-c2ccccc2C32c3ccc(N(c4ccccc4)c4cc(-c5ccccc5)c5oc6ccccc6c5c4)cc3Sc3c(N(c4ccccc4)c4cc(-c5ccccc5)cc5oc6ccccc6c45)cccc32)cc1.Clc1ccc2c(c1)Sc1cc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5ccccc5c4)c4oc5ccccc5c4c3)ccc1C21c2ccccc2-c2c(N(c3cc(-c4ccccc4)c4c(c3)oc3ccccc34)c3ccc4sc5ccccc5c4c3)cccc21.Clc1ccc2c(c1)Sc1cc(N(c3ccccc3)c3cc(-c4ccccc4)c4c(c3)sc3ccccc34)ccc1C21c2ccccc2-c2c(N(c3cc(-c4ccccc4)c4c(c3)oc3ccccc34)c3ccc4sc5ccccc5c4c3)cccc21.Clc1cccc2c1Sc1cc(N(c3ccccc3)c3cc(-c4ccccc4)c4oc5ccccc5c4c3)ccc1C21c2ccccc2-c2cc(-c3ccc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4-c4ccccc4)cc3)ccc21
• InChI: InChI=1S/C89H53ClN2O2S2.C79H49ClN2O2S.C79H47ClN2OS3.C79H49ClN2OS2/c90-60-38-43-75-84(47-60)96-85-53-63(91(61-39-36-56(37-40-61)54-18-3-1-4-19-54)64-50-71(59-35-34-55-20-7-8-23-58(55)46-59)88-73(51-64)66-24-10-14-31-79(66)94-88)41-44-76(85)89(75)74-28-13-9-26-68(74)87-77(89)29-17-30-78(87)92(62-42-45-83-72(48-62)67-25-12-16-33-82(67)95-83)65-49-70(57-21-5-2-6-22-57)86-69-27-11-15-32-80(69)93-81(86)52-65;80-55-39-36-51(37-40-55)53-38-42-67-64(44-53)60-28-13-16-31-66(60)79(67)68-43-41-58(81(56-24-9-3-10-25-56)59-47-63(52-22-7-2-8-23-52)77-65(48-59)61-29-14-17-34-72(61)84-77)49-75(68)85-78-69(79)32-19-33-70(78)82(57-26-11-4-12-27-57)71-45-54(50-20-5-1-6-21-50)46-74-76(71)62-30-15-18-35-73(62)83-74;80-50-35-38-64-73(41-50)86-74-46-53(81(51-23-8-3-9-24-51)55-44-61(49-21-6-2-7-22-49)77-59-28-13-17-34-71(59)85-75(77)47-55)36-39-65(74)79(64)63-29-14-10-26-57(63)78-66(79)30-18-31-67(78)82(52-37-40-72-62(42-52)56-25-12-16-33-70(56)84-72)54-43-60(48-19-4-1-5-20-48)76-58-27-11-15-32-68(58)83-69(76)45-54;80-69-33-19-32-68-78(69)85-74-49-57(81(54-24-9-3-10-25-54)58-47-62(51-20-5-1-6-21-51)77-64(48-58)60-29-14-17-34-71(60)83-77)41-43-67(74)79(68)65-31-16-13-28-59(65)63-46-53(38-42-66(63)79)50-36-39-56(40-37-50)82(55-26-11-4-12-27-55)70-44-45-73-76(61-30-15-18-35-72(61)84-73)75(70)52-22-7-2-8-23-52/h1-53H;1-49H;1-47H;1-49H
• InChIKey: KICGXZXRPNEUHB-UHFFFAOYSA-N
• XLogP: 96.79
• TPSA: 104.76 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 35
• Heavy Atoms: 352
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4721.57
LogP ≤ 5	96.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 6'-chloro-4-N-dibenzothiophen-2-yl-3-N'-(4-naphthalen-2-yldibenzofuran-2-yl)-4-N-(1-phenyldibenzofuran-3-yl)-3-N'-(4-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-3',4-diamine;6'-chloro-4-N-dibenzothiophen-2-yl-3-N'-phenyl-4-N-(1-phenyldibenzofuran-3-yl)-3-N'-(1-phenyldibenzothiophen-3-yl)spiro[fluorene-9,9'-thioxanthene]-3',4-diamine;N-[5'-chloro-3-[4-(N-(1-phenyldibenzothiophen-2-yl)anilino)phenyl]spiro[fluorene-9,9'-thioxanthene]-3'-yl]-N,4-diphenyldibenzofuran-2-amine;3-(4-chlorophenyl)-3-N',5-N'-diphenyl-5-N'-(3-phenyldibenzofuran-1-yl)-3-N'-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3',5'-diamine?

The IUPAC name of 6'-chloro-4-N-dibenzothiophen-2-yl-3-N'-(4-naphthalen-2-yldibenzofuran-2-yl)-4-N-(1-phenyldibenzofuran-3-yl)-3-N'-(4-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-3',4-diamine;6'-chloro-4-N-dibenzothiophen-2-yl-3-N'-phenyl-4-N-(1-phenyldibenzofuran-3-yl)-3-N'-(1-phenyldibenzothiophen-3-yl)spiro[fluorene-9,9'-thioxanthene]-3',4-diamine;N-[5'-chloro-3-[4-(N-(1-phenyldibenzothiophen-2-yl)anilino)phenyl]spiro[fluorene-9,9'-thioxanthene]-3'-yl]-N,4-diphenyldibenzofuran-2-amine;3-(4-chlorophenyl)-3-N',5-N'-diphenyl-5-N'-(3-phenyldibenzofuran-1-yl)-3-N'-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3',5'-diamine (CID 159141093) is 6'-chloro-4-N-dibenzothiophen-2-yl-3-N'-(4-naphthalen-2-yldibenzofuran-2-yl)-4-N-(1-phenyldibenzofuran-3-yl)-3-N'-(4-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-3',4-diamine;6'-chloro-4-N-dibenzothiophen-2-yl-3-N'-phenyl-4-N-(1-phenyldibenzofuran-3-yl)-3-N'-(1-phenyldibenzothiophen-3-yl)spiro[fluorene-9,9'-thioxanthene]-3',4-diamine;N-[5'-chloro-3-[4-(N-(1-phenyldibenzothiophen-2-yl)anilino)phenyl]spiro[fluorene-9,9'-thioxanthene]-3'-yl]-N,4-diphenyldibenzofuran-2-amine;3-(4-chlorophenyl)-3-N',5-N'-diphenyl-5-N'-(3-phenyldibenzofuran-1-yl)-3-N'-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3',5'-diamine.

What is the SMILES notation for 6'-chloro-4-N-dibenzothiophen-2-yl-3-N'-(4-naphthalen-2-yldibenzofuran-2-yl)-4-N-(1-phenyldibenzofuran-3-yl)-3-N'-(4-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-3',4-diamine;6'-chloro-4-N-dibenzothiophen-2-yl-3-N'-phenyl-4-N-(1-phenyldibenzofuran-3-yl)-3-N'-(1-phenyldibenzothiophen-3-yl)spiro[fluorene-9,9'-thioxanthene]-3',4-diamine;N-[5'-chloro-3-[4-(N-(1-phenyldibenzothiophen-2-yl)anilino)phenyl]spiro[fluorene-9,9'-thioxanthene]-3'-yl]-N,4-diphenyldibenzofuran-2-amine;3-(4-chlorophenyl)-3-N',5-N'-diphenyl-5-N'-(3-phenyldibenzofuran-1-yl)-3-N'-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3',5'-diamine?

The canonical SMILES for 6'-chloro-4-N-dibenzothiophen-2-yl-3-N'-(4-naphthalen-2-yldibenzofuran-2-yl)-4-N-(1-phenyldibenzofuran-3-yl)-3-N'-(4-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-3',4-diamine;6'-chloro-4-N-dibenzothiophen-2-yl-3-N'-phenyl-4-N-(1-phenyldibenzofuran-3-yl)-3-N'-(1-phenyldibenzothiophen-3-yl)spiro[fluorene-9,9'-thioxanthene]-3',4-diamine;N-[5'-chloro-3-[4-(N-(1-phenyldibenzothiophen-2-yl)anilino)phenyl]spiro[fluorene-9,9'-thioxanthene]-3'-yl]-N,4-diphenyldibenzofuran-2-amine;3-(4-chlorophenyl)-3-N',5-N'-diphenyl-5-N'-(3-phenyldibenzofuran-1-yl)-3-N'-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3',5'-diamine is Clc1ccc(-c2ccc3c(c2)-c2ccccc2C32c3ccc(N(c4ccccc4)c4cc(-c5ccccc5)c5oc6ccccc6c5c4)cc3Sc3c(N(c4ccccc4)c4cc(-c5ccccc5)cc5oc6ccccc6c45)cccc32)cc1.Clc1ccc2c(c1)Sc1cc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5ccccc5c4)c4oc5ccccc5c4c3)ccc1C21c2ccccc2-c2c(N(c3cc(-c4ccccc4)c4c(c3)oc3ccccc34)c3ccc4sc5ccccc5c4c3)cccc21.Clc1ccc2c(c1)Sc1cc(N(c3ccccc3)c3cc(-c4ccccc4)c4c(c3)sc3ccccc34)ccc1C21c2ccccc2-c2c(N(c3cc(-c4ccccc4)c4c(c3)oc3ccccc34)c3ccc4sc5ccccc5c4c3)cccc21.Clc1cccc2c1Sc1cc(N(c3ccccc3)c3cc(-c4ccccc4)c4oc5ccccc5c4c3)ccc1C21c2ccccc2-c2cc(-c3ccc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4-c4ccccc4)cc3)ccc21.

What is the InChIKey of 6'-chloro-4-N-dibenzothiophen-2-yl-3-N'-(4-naphthalen-2-yldibenzofuran-2-yl)-4-N-(1-phenyldibenzofuran-3-yl)-3-N'-(4-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-3',4-diamine;6'-chloro-4-N-dibenzothiophen-2-yl-3-N'-phenyl-4-N-(1-phenyldibenzofuran-3-yl)-3-N'-(1-phenyldibenzothiophen-3-yl)spiro[fluorene-9,9'-thioxanthene]-3',4-diamine;N-[5'-chloro-3-[4-(N-(1-phenyldibenzothiophen-2-yl)anilino)phenyl]spiro[fluorene-9,9'-thioxanthene]-3'-yl]-N,4-diphenyldibenzofuran-2-amine;3-(4-chlorophenyl)-3-N',5-N'-diphenyl-5-N'-(3-phenyldibenzofuran-1-yl)-3-N'-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3',5'-diamine?

The InChIKey is KICGXZXRPNEUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H53ClN2O2S2.C79H49ClN2O2S.C79H47ClN2OS3.C79H49ClN2OS2/c90-60-38-43-75-84(47-60)96-85-53-63(91(61-39-36-56(37-40-61)54-18-3-1-4-19-54)64-50-71(59-35-34-55-20-7-8-23-58(55)46-59)88-73(51-64)66-24-10-14-31-79(66)94-88)41-44-76(85)89(75)74-28-13-9-26-68(74)87-77(89)29-17-30-78(87)92(62-42-45-83-72(48-62)67-25-12-16-33-82(67)95-83)65-49-70(57-21-5-2-6-22-57)86-69-27-11-15-32-80(69)93-81(86)52-65;80-55-39-36-51(37-40-55)53-38-42-67-64(44-53)60-28-13-16-31-66(60)79(67)68-43-41-58(81(56-24-9-3-10-25-56)59-47-63(52-22-7-2-8-23-52)77-65(48-59)61-29-14-17-34-72(61)84-77)49-75(68)85-78-69(79)32-19-33-70(78)82(57-26-11-4-12-27-57)71-45-54(50-20-5-1-6-21-50)46-74-76(71)62-30-15-18-35-73(62)83-74;80-50-35-38-64-73(41-50)86-74-46-53(81(51-23-8-3-9-24-51)55-44-61(49-21-6-2-7-22-49)77-59-28-13-17-34-71(59)85-75(77)47-55)36-39-65(74)79(64)63-29-14-10-26-57(63)78-66(79)30-18-31-67(78)82(52-37-40-72-62(42-52)56-25-12-16-33-70(56)84-72)54-43-60(48-19-4-1-5-20-48)76-58-27-11-15-32-68(58)83-69(76)45-54;80-69-33-19-32-68-78(69)85-74-49-57(81(54-24-9-3-10-25-54)58-47-62(51-20-5-1-6-21-51)77-64(48-58)60-29-14-17-34-71(60)83-77)41-43-67(74)79(68)65-31-16-13-28-59(65)63-46-53(38-42-66(63)79)50-36-39-56(40-37-50)82(55-26-11-4-12-27-55)70-44-45-73-76(61-30-15-18-35-72(61)84-73)75(70)52-22-7-2-8-23-52/h1-53H;1-49H;1-47H;1-49H.

What are the key properties of 6'-chloro-4-N-dibenzothiophen-2-yl-3-N'-(4-naphthalen-2-yldibenzofuran-2-yl)-4-N-(1-phenyldibenzofuran-3-yl)-3-N'-(4-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-3',4-diamine;6'-chloro-4-N-dibenzothiophen-2-yl-3-N'-phenyl-4-N-(1-phenyldibenzofuran-3-yl)-3-N'-(1-phenyldibenzothiophen-3-yl)spiro[fluorene-9,9'-thioxanthene]-3',4-diamine;N-[5'-chloro-3-[4-(N-(1-phenyldibenzothiophen-2-yl)anilino)phenyl]spiro[fluorene-9,9'-thioxanthene]-3'-yl]-N,4-diphenyldibenzofuran-2-amine;3-(4-chlorophenyl)-3-N',5-N'-diphenyl-5-N'-(3-phenyldibenzofuran-1-yl)-3-N'-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3',5'-diamine?

6'-chloro-4-N-dibenzothiophen-2-yl-3-N'-(4-naphthalen-2-yldibenzofuran-2-yl)-4-N-(1-phenyldibenzofuran-3-yl)-3-N'-(4-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-3',4-diamine;6'-chloro-4-N-dibenzothiophen-2-yl-3-N'-phenyl-4-N-(1-phenyldibenzofuran-3-yl)-3-N'-(1-phenyldibenzothiophen-3-yl)spiro[fluorene-9,9'-thioxanthene]-3',4-diamine;N-[5'-chloro-3-[4-(N-(1-phenyldibenzothiophen-2-yl)anilino)phenyl]spiro[fluorene-9,9'-thioxanthene]-3'-yl]-N,4-diphenyldibenzofuran-2-amine;3-(4-chlorophenyl)-3-N',5-N'-diphenyl-5-N'-(3-phenyldibenzofuran-1-yl)-3-N'-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3',5'-diamine has a molecular weight of 4721.57 g/mol, XLogP of 96.79, 35 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6'-chloro-4-N-dibenzothiophen-2-yl-3-N'-(4-naphthalen-2-yldibenzofuran-2-yl)-4-N-(1-phenyldibenzofuran-3-yl)-3-N'-(4-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-3',4-diamine;6'-chloro-4-N-dibenzothiophen-2-yl-3-N'-phenyl-4-N-(1-phenyldibenzofuran-3-yl)-3-N'-(1-phenyldibenzothiophen-3-yl)spiro[fluorene-9,9'-thioxanthene]-3',4-diamine;N-[5'-chloro-3-[4-(N-(1-phenyldibenzothiophen-2-yl)anilino)phenyl]spiro[fluorene-9,9'-thioxanthene]-3'-yl]-N,4-diphenyldibenzofuran-2-amine;3-(4-chlorophenyl)-3-N',5-N'-diphenyl-5-N'-(3-phenyldibenzofuran-1-yl)-3-N'-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3',5'-diamine is sourced from PubChem (CID 159141093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).