2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(3-naphtho[2,3-b][1]benzothiol-9-ylphenyl)-6-phenyl-1,3,5-triazine;2-(3-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzothiol-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine

C175H110N12O2S3 — CID 165081858

IUPAC2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(3-naphtho[2,3-b][1]benzothiol-9-ylphenyl)-6-phenyl-1,3,5-triazine;2-(3-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzothiol-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6cc7sc8ccccc8c7cc6c5)c4)n3)cc21.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6cc7c(cc56)oc5ccccc57)c4)n3)cc2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5cc6c(cc5c4)sc4ccccc46)c3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6cc7sc8ccccc8c7cc56)c4)c3)n2)cc1
InChIInChI=1S/C46H31N3S.C43H25N3OS.C43H27N3O.C43H27N3S/c1-46(2)39-17-8-6-15-35(39)36-22-21-33(26-40(36)46)45-48-43(28-11-4-3-5-12-28)47-44(49-45)32-14-10-13-29(23-32)30-19-20-31-27-42-38(25-34(31)24-30)37-16-7-9-18-41(37)50-42;1-2-9-26(10-3-1)41-44-42(46-43(45-41)31-19-20-38-35(24-31)33-13-4-6-15-37(33)47-38)30-12-8-11-27(21-30)28-17-18-29-23-36-34-14-5-7-16-39(34)48-40(36)25-32(29)22-28;1-3-11-28(12-4-1)29-21-23-31(24-22-29)42-44-41(30-13-5-2-6-14-30)45-43(46-42)34-17-9-15-32(25-34)35-19-10-16-33-26-38-36-18-7-8-20-39(36)47-40(38)27-37(33)35;1-3-12-28(13-4-1)41-44-42(29-14-5-2-6-15-29)46-43(45-41)34-20-10-17-31(25-34)30-16-9-18-32(24-30)35-22-11-19-33-26-40-38(27-37(33)35)36-21-7-8-23-39(36)47-40/h3-27H,1-2H3;1-25H;2*1-27H
InChIKeyVGFGLQLLMKABET-UHFFFAOYSA-N
MW2509.09 g/mol
LogP47.31
Rot. Bonds18

About 2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(3-naphtho[2,3-b][1]benzothiol-9-ylphenyl)-6-phenyl-1,3,5-triazine;2-(3-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzothiol-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine

2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(3-naphtho[2,3-b][1]benzothiol-9-ylphenyl)-6-phenyl-1,3,5-triazine;2-(3-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzothiol-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 165081858) has the molecular formula C175H110N12O2S3 and a molecular weight of 2509.09 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(3-naphtho[2,3-b][1]benzothiol-9-ylphenyl)-6-phenyl-1,3,5-triazine;2-(3-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzothiol-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(3-naphtho[2,3-b][1]benzothiol-9-ylphenyl)-6-phenyl-1,3,5-triazine;2-(3-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzothiol-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID165081858
Molecular FormulaC175H110N12O2S3
Molecular Weight2509.09 g/mol
Exact Mass2506.80
IUPAC Name2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(3-naphtho[2,3-b][1]benzothiol-9-ylphenyl)-6-phenyl-1,3,5-triazine;2-(3-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzothiol-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6cc7sc8ccccc8c7cc6c5)c4)n3)cc21.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6cc7c(cc56)oc5ccccc57)c4)n3)cc2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5cc6c(cc5c4)sc4ccccc46)c3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6cc7sc8ccccc8c7cc56)c4)c3)n2)cc1
InChIInChI=1S/C46H31N3S.C43H25N3OS.C43H27N3O.C43H27N3S/c1-46(2)39-17-8-6-15-35(39)36-22-21-33(26-40(36)46)45-48-43(28-11-4-3-5-12-28)47-44(49-45)32-14-10-13-29(23-32)30-19-20-31-27-42-38(25-34(31)24-30)37-16-7-9-18-41(37)50-42;1-2-9-26(10-3-1)41-44-42(46-43(45-41)31-19-20-38-35(24-31)33-13-4-6-15-37(33)47-38)30-12-8-11-27(21-30)28-17-18-29-23-36-34-14-5-7-16-39(34)48-40(36)25-32(29)22-28;1-3-11-28(12-4-1)29-21-23-31(24-22-29)42-44-41(30-13-5-2-6-14-30)45-43(46-42)34-17-9-15-32(25-34)35-19-10-16-33-26-38-36-18-7-8-20-39(36)47-40(38)27-37(33)35;1-3-12-28(13-4-1)41-44-42(29-14-5-2-6-15-29)46-43(45-41)34-20-10-17-31(25-34)30-16-9-18-32(24-30)35-22-11-19-33-26-40-38(27-37(33)35)36-21-7-8-23-39(36)47-40/h3-27H,1-2H3;1-25H;2*1-27H
InChIKeyVGFGLQLLMKABET-UHFFFAOYSA-N
XLogP47.31
TPSA180.96 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002509.09
LogP ≤ 547.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(3-naphtho[2,3-b][1]benzothiol-9-ylphenyl)-6-phenyl-1,3,5-triazine;2-(3-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzothiol-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(3-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-6-phenyl-1,3,5-triazine;methane;2-[3-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161202674
2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-naphtho[7,6-b][1]benzothiol-7-ylphenyl)-6-phenyl-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157489549
2-[3-(23,23-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),17,19,21-dodecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-(17-thiahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaen-6-yl)phenyl]-1,3,5-triazine;2-[3-(23-oxahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),17,19,21-dodecaen-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165101648
2-(3-naphtho[2,3-b][1]benzofuran-9-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-naphtho[3,2-b][1]benzofuran-8-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(3-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzothiol-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 162105270
2-dibenzofuran-3-yl-4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 163970281
4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171582676
2-(3-dibenzothiophen-3-ylphenyl)-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168730357
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]fluoranthene;3-[3-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 160922229
2-(3-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 158464749
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171583039
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584829
2-dibenzofuran-3-yl-4-(3-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(3-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(3-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 165075040

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(3-naphtho[2,3-b][1]benzothiol-9-ylphenyl)-6-phenyl-1,3,5-triazine;2-(3-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzothiol-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(3-naphtho[2,3-b][1]benzothiol-9-ylphenyl)-6-phenyl-1,3,5-triazine;2-(3-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzothiol-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 165081858) is 2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(3-naphtho[2,3-b][1]benzothiol-9-ylphenyl)-6-phenyl-1,3,5-triazine;2-(3-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzothiol-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(3-naphtho[2,3-b][1]benzothiol-9-ylphenyl)-6-phenyl-1,3,5-triazine;2-(3-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzothiol-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(3-naphtho[2,3-b][1]benzothiol-9-ylphenyl)-6-phenyl-1,3,5-triazine;2-(3-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzothiol-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6cc7sc8ccccc8c7cc6c5)c4)n3)cc21.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6cc7c(cc56)oc5ccccc57)c4)n3)cc2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5cc6c(cc5c4)sc4ccccc46)c3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6cc7sc8ccccc8c7cc56)c4)c3)n2)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(3-naphtho[2,3-b][1]benzothiol-9-ylphenyl)-6-phenyl-1,3,5-triazine;2-(3-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzothiol-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is VGFGLQLLMKABET-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N3S.C43H25N3OS.C43H27N3O.C43H27N3S/c1-46(2)39-17-8-6-15-35(39)36-22-21-33(26-40(36)46)45-48-43(28-11-4-3-5-12-28)47-44(49-45)32-14-10-13-29(23-32)30-19-20-31-27-42-38(25-34(31)24-30)37-16-7-9-18-41(37)50-42;1-2-9-26(10-3-1)41-44-42(46-43(45-41)31-19-20-38-35(24-31)33-13-4-6-15-37(33)47-38)30-12-8-11-27(21-30)28-17-18-29-23-36-34-14-5-7-16-39(34)48-40(36)25-32(29)22-28;1-3-11-28(12-4-1)29-21-23-31(24-22-29)42-44-41(30-13-5-2-6-14-30)45-43(46-42)34-17-9-15-32(25-34)35-19-10-16-33-26-38-36-18-7-8-20-39(36)47-40(38)27-37(33)35;1-3-12-28(13-4-1)41-44-42(29-14-5-2-6-15-29)46-43(45-41)34-20-10-17-31(25-34)30-16-9-18-32(24-30)35-22-11-19-33-26-40-38(27-37(33)35)36-21-7-8-23-39(36)47-40/h3-27H,1-2H3;1-25H;2*1-27H.
What are the key properties of 2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(3-naphtho[2,3-b][1]benzothiol-9-ylphenyl)-6-phenyl-1,3,5-triazine;2-(3-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzothiol-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(3-naphtho[2,3-b][1]benzothiol-9-ylphenyl)-6-phenyl-1,3,5-triazine;2-(3-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzothiol-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 2509.09 g/mol, XLogP of 47.31, 18 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(3-naphtho[2,3-b][1]benzothiol-9-ylphenyl)-6-phenyl-1,3,5-triazine;2-(3-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzothiol-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 165081858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).