9,9-bis(4-methylphenyl)fluorene;2,4-dimethyl-1-[4-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-methyl-N-[3-methyl-4-[4-[(4-methylbenzoyl)amino]-2-(trifluoromethyl)phenyl]phenyl]benzamide;molecular hydrogen

C120H107F15N2O4 — CID 162136634

IUPAC9,9-bis(4-methylphenyl)fluorene;2,4-dimethyl-1-[4-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-methyl-N-[3-methyl-4-[4-[(4-methylbenzoyl)amino]-2-(trifluoromethyl)phenyl]phenyl]benzamide;molecular hydrogen
SMILESCc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C)c1.Cc1ccc(C(=O)Nc2ccc(-c3ccc(NC(=O)c4ccc(C)cc4)cc3C(F)(F)F)c(C)c2)cc1.Cc1ccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1C.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc(Oc2ccc(-c3ccc(Oc4ccc(C)cc4C(F)(F)F)cc3)cc2)c(C)c1.[H][H].[H][H]
InChIInChI=1S/C30H25F3N2O2.C28H23F3O2.C27H22.C19H18F6.C16H15F3.2H2/c1-18-4-8-21(9-5-18)28(36)34-23-12-14-25(20(3)16-23)26-15-13-24(17-27(26)30(31,32)33)35-29(37)22-10-6-19(2)7-11-22;1-18-4-14-26(20(3)16-18)32-23-10-6-21(7-11-23)22-8-12-24(13-9-22)33-27-15-5-19(2)17-25(27)28(29,30)31;1-19-11-15-21(16-12-19)27(22-17-13-20(2)14-18-22)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27;1-11-5-7-15(9-13(11)3)17(18(20,21)22,19(23,24)25)16-8-6-12(2)14(4)10-16;1-10-4-6-13(12(3)8-10)14-7-5-11(2)9-15(14)16(17,18)19;;/h4-17H,1-3H3,(H,34,36)(H,35,37);4-17H,1-3H3;3-18H,1-2H3;5-10H,1-4H3;4-9H,1-3H3;2*1H
InChIKeyZJJLEIWTEJALSS-UHFFFAOYSA-N
MW1926.16 g/mol
LogP35.47
Rot. Bonds15

About 9,9-bis(4-methylphenyl)fluorene;2,4-dimethyl-1-[4-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-methyl-N-[3-methyl-4-[4-[(4-methylbenzoyl)amino]-2-(trifluoromethyl)phenyl]phenyl]benzamide;molecular hydrogen

9,9-bis(4-methylphenyl)fluorene;2,4-dimethyl-1-[4-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-methyl-N-[3-methyl-4-[4-[(4-methylbenzoyl)amino]-2-(trifluoromethyl)phenyl]phenyl]benzamide;molecular hydrogen (PubChem CID 162136634) has the molecular formula C120H107F15N2O4 and a molecular weight of 1926.16 g/mol. Its IUPAC name is 9,9-bis(4-methylphenyl)fluorene;2,4-dimethyl-1-[4-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-methyl-N-[3-methyl-4-[4-[(4-methylbenzoyl)amino]-2-(trifluoromethyl)phenyl]phenyl]benzamide;molecular hydrogen.

Molecular Properties

Compound Name9,9-bis(4-methylphenyl)fluorene;2,4-dimethyl-1-[4-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-methyl-N-[3-methyl-4-[4-[(4-methylbenzoyl)amino]-2-(trifluoromethyl)phenyl]phenyl]benzamide;molecular hydrogen
PubChem CID162136634
Molecular FormulaC120H107F15N2O4
Molecular Weight1926.16 g/mol
Exact Mass1924.80
IUPAC Name9,9-bis(4-methylphenyl)fluorene;2,4-dimethyl-1-[4-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-methyl-N-[3-methyl-4-[4-[(4-methylbenzoyl)amino]-2-(trifluoromethyl)phenyl]phenyl]benzamide;molecular hydrogen
SMILESCc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C)c1.Cc1ccc(C(=O)Nc2ccc(-c3ccc(NC(=O)c4ccc(C)cc4)cc3C(F)(F)F)c(C)c2)cc1.Cc1ccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1C.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc(Oc2ccc(-c3ccc(Oc4ccc(C)cc4C(F)(F)F)cc3)cc2)c(C)c1.[H][H].[H][H]
InChIInChI=1S/C30H25F3N2O2.C28H23F3O2.C27H22.C19H18F6.C16H15F3.2H2/c1-18-4-8-21(9-5-18)28(36)34-23-12-14-25(20(3)16-23)26-15-13-24(17-27(26)30(31,32)33)35-29(37)22-10-6-19(2)7-11-22;1-18-4-14-26(20(3)16-18)32-23-10-6-21(7-11-23)22-8-12-24(13-9-22)33-27-15-5-19(2)17-25(27)28(29,30)31;1-19-11-15-21(16-12-19)27(22-17-13-20(2)14-18-22)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27;1-11-5-7-15(9-13(11)3)17(18(20,21)22,19(23,24)25)16-8-6-12(2)14(4)10-16;1-10-4-6-13(12(3)8-10)14-7-5-11(2)9-15(14)16(17,18)19;;/h4-17H,1-3H3,(H,34,36)(H,35,37);4-17H,1-3H3;3-18H,1-2H3;5-10H,1-4H3;4-9H,1-3H3;2*1H
InChIKeyZJJLEIWTEJALSS-UHFFFAOYSA-N
XLogP35.47
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms141
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001926.16
LogP ≤ 535.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9,9-bis(4-methylphenyl)fluorene;2,4-dimethyl-1-[4-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-methyl-N-[3-methyl-4-[4-[(4-methylbenzoyl)amino]-2-(trifluoromethyl)phenyl]phenyl]benzamide;molecular hydrogen with MolForge

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Related Compounds

9-[4-[4-[4-[4-[4-(3,4-dimethylphenyl)phenyl]-3,5-bis(3-methylphenyl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]phenyl]-2-(trifluoromethyl)phenoxy]phenyl]-9-(4-methoxyphenyl)fluorene;1-[4-(3,4-dimethylphenyl)phenyl]-4-[4-[4-[4-(4-methoxyphenyl)phenoxy]-3-(trifluoromethyl)phenyl]phenyl]-2,6-bis(3-methylphenyl)-3,5-bis[3-(trifluoromethyl)phenyl]benzene;1-[4-(3,4-dimethylphenyl)phenyl]-4-[4-[4-[4-(4-methoxyphenyl)phenoxy]-3-(trifluoromethyl)phenyl]phenyl]-2-(3-methylphenyl)-5,6-diphenyl-3-[3-(trifluoromethyl)phenyl]benzene;9-[4-[4-[4-[4-[4-(3,4-dimethylphenyl)phenyl]-5-(3-methylphenyl)-2,3-diphenyl-6-[3-(trifluoromethyl)phenyl]phenyl]phenyl]-2-(trifluoromethyl)phenoxy]phenyl]-9-(4-methoxyphenyl)fluorene;methane;methanesulfonic acid;tetrakis(sulfur trioxide)
CID 162059847
5-[1,1,1,3,3,3-hexafluoro-2-[2-[3-methyl-4-[4-methyl-2-(trifluoromethyl)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;1-N-methyl-4-N-[3-methyl-4-[4-methyl-2-(trifluoromethyl)phenyl]phenyl]benzene-1,4-dicarboxamide;2-methyl-5-[2-[3-methyl-4-[4-methyl-2-(trifluoromethyl)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
CID 159977264
bis[4-(4-methylphenoxy)phenyl]methanone;bis(4-methylphenyl)methanone;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]-4-methyl-2-(trifluoromethyl)benzene;methane;2-methoxy-1-(2-methoxy-4-methylphenyl)-4-methylbenzene;1-methyl-2-(3-methylphenoxy)benzene;1-methyl-4-[(4-methylphenoxy)methoxy]benzene;4-methyl-1-(4-methylphenoxy)-2-(trifluoromethyl)benzene;4-methyl-1-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenoxy]-2-(trifluoromethyl)benzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene;1,3,4-trimethyl-2,5-bis(4-methylphenoxy)benzene
CID 159986869
4-tert-butyl-N-[4-[9-[4-[(4-tert-butylbenzoyl)amino]phenyl]fluoren-9-yl]phenyl]benzamide
CID 3404404
4-N-[4-(4-amino-2-methylphenyl)-3-(trifluoromethyl)phenyl]-1-N-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-methylphenyl]benzene-1,4-dicarboxamide
CID 129012920
benzyl 4-[4-[9-[4-(4-methyl-3-phenylmethoxyphenoxy)phenyl]fluoren-9-yl]phenoxy]-3-(trifluoromethyl)benzoate
CID 59872775
1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;9,9-bis(4-methylphenyl)fluorene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-methyl-3-[4-(4-methylphenoxy)phenoxy]benzene;1-methyl-4-[3-[3-(4-methylphenoxy)phenyl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-(4-methylphenoxy)-3-[3-(4-methylphenoxy)phenyl]sulfonylbenzene
CID 159261526
1-methoxy-4-[2-(4-methylphenyl)ethynyl]benzene;[4-[6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone;[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;9-(4-methoxyphenyl)-9-[4-[2-methyl-4-[2-(4-methylphenyl)ethynyl]phenoxy]phenyl]fluorene;9-(4-methoxyphenyl)-9-[4-(3-methyl-4-phenylphenoxy)phenyl]fluorene;[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 158736902
bis(3,4-dimethylphenyl)methanone;9,9-bis(4-methylphenyl)fluorene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,2,4,5-tetramethylcyclohexane;1,3-xylene;1,4-xylene
CID 161163266
9,9-bis(4-methylphenyl)fluorene;bis(4-methylphenyl)methanone;2,6-dimethylnaphthalene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,4-xylene
CID 158075946
4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 52545008
9,9-bis(4-methylphenyl)fluorene;1,4-bis(4-methylphenyl)-2,3,5,6-tetraphenylbenzene;2-(2,6-difluoro-4-methylphenyl)-1,3-difluoro-5-methylbenzene;2,4-dimethyl-1-[4-methyl-2-(trifluoromethoxy)phenyl]benzene;3',6'-dimethylspiro[fluorene-9,9'-xanthene];1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;methane;2-methyl-5-(4-methyl-3,5-diphenylphenyl)-1,3-diphenylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
CID 157337445

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(4-methylphenyl)fluorene;2,4-dimethyl-1-[4-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-methyl-N-[3-methyl-4-[4-[(4-methylbenzoyl)amino]-2-(trifluoromethyl)phenyl]phenyl]benzamide;molecular hydrogen?
The IUPAC name of 9,9-bis(4-methylphenyl)fluorene;2,4-dimethyl-1-[4-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-methyl-N-[3-methyl-4-[4-[(4-methylbenzoyl)amino]-2-(trifluoromethyl)phenyl]phenyl]benzamide;molecular hydrogen (CID 162136634) is 9,9-bis(4-methylphenyl)fluorene;2,4-dimethyl-1-[4-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-methyl-N-[3-methyl-4-[4-[(4-methylbenzoyl)amino]-2-(trifluoromethyl)phenyl]phenyl]benzamide;molecular hydrogen.
What is the SMILES notation for 9,9-bis(4-methylphenyl)fluorene;2,4-dimethyl-1-[4-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-methyl-N-[3-methyl-4-[4-[(4-methylbenzoyl)amino]-2-(trifluoromethyl)phenyl]phenyl]benzamide;molecular hydrogen?
The canonical SMILES for 9,9-bis(4-methylphenyl)fluorene;2,4-dimethyl-1-[4-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-methyl-N-[3-methyl-4-[4-[(4-methylbenzoyl)amino]-2-(trifluoromethyl)phenyl]phenyl]benzamide;molecular hydrogen is Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C)c1.Cc1ccc(C(=O)Nc2ccc(-c3ccc(NC(=O)c4ccc(C)cc4)cc3C(F)(F)F)c(C)c2)cc1.Cc1ccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1C.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc(Oc2ccc(-c3ccc(Oc4ccc(C)cc4C(F)(F)F)cc3)cc2)c(C)c1.[H][H].[H][H].
What is the InChIKey of 9,9-bis(4-methylphenyl)fluorene;2,4-dimethyl-1-[4-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-methyl-N-[3-methyl-4-[4-[(4-methylbenzoyl)amino]-2-(trifluoromethyl)phenyl]phenyl]benzamide;molecular hydrogen?
The InChIKey is ZJJLEIWTEJALSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F3N2O2.C28H23F3O2.C27H22.C19H18F6.C16H15F3.2H2/c1-18-4-8-21(9-5-18)28(36)34-23-12-14-25(20(3)16-23)26-15-13-24(17-27(26)30(31,32)33)35-29(37)22-10-6-19(2)7-11-22;1-18-4-14-26(20(3)16-18)32-23-10-6-21(7-11-23)22-8-12-24(13-9-22)33-27-15-5-19(2)17-25(27)28(29,30)31;1-19-11-15-21(16-12-19)27(22-17-13-20(2)14-18-22)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27;1-11-5-7-15(9-13(11)3)17(18(20,21)22,19(23,24)25)16-8-6-12(2)14(4)10-16;1-10-4-6-13(12(3)8-10)14-7-5-11(2)9-15(14)16(17,18)19;;/h4-17H,1-3H3,(H,34,36)(H,35,37);4-17H,1-3H3;3-18H,1-2H3;5-10H,1-4H3;4-9H,1-3H3;2*1H.
What are the key properties of 9,9-bis(4-methylphenyl)fluorene;2,4-dimethyl-1-[4-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-methyl-N-[3-methyl-4-[4-[(4-methylbenzoyl)amino]-2-(trifluoromethyl)phenyl]phenyl]benzamide;molecular hydrogen?
9,9-bis(4-methylphenyl)fluorene;2,4-dimethyl-1-[4-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-methyl-N-[3-methyl-4-[4-[(4-methylbenzoyl)amino]-2-(trifluoromethyl)phenyl]phenyl]benzamide;molecular hydrogen has a molecular weight of 1926.16 g/mol, XLogP of 35.47, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(4-methylphenyl)fluorene;2,4-dimethyl-1-[4-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-methyl-N-[3-methyl-4-[4-[(4-methylbenzoyl)amino]-2-(trifluoromethyl)phenyl]phenyl]benzamide;molecular hydrogen is sourced from PubChem (CID 162136634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).