N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzofuran-1-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-6-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine

C222H132N8O7S5 — CID 160775883

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzofuran-1-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-6-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cccc(N(c7ccc(-c8cccc9c8oc8ccccc89)cc7)c7ccc8sc9ccccc9c8c7)c6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cccc(N(c7cccc8c7sc7ccccc78)c7cccc8c7sc7ccccc78)c6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cccc(N(c7cccc8oc9ccccc9c78)c7cccc8oc9ccccc9c78)c6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cccc5c4oc4cccc(N(c6cccc7c6sc6ccccc67)c6cccc7c6sc6ccccc67)c45)cc32)cc1
InChIInChI=1S/C60H36N2O2S.C54H32N2O3.2C54H32N2OS2/c1-2-12-40(13-3-1)62-51-19-7-4-14-44(51)48-34-38(26-31-52(48)62)39-27-32-55-50(35-39)59-53(20-11-22-56(59)63-55)61(42-30-33-58-49(36-42)46-16-6-9-23-57(46)65-58)41-28-24-37(25-29-41)43-17-10-18-47-45-15-5-8-21-54(45)64-60(43)47;1-2-13-35(14-3-1)55-41-18-7-4-15-36(41)39-31-33(27-29-42(39)55)34-28-30-48-40(32-34)54-45(21-12-26-51(54)59-48)56(43-19-10-24-49-52(43)37-16-5-8-22-46(37)57-49)44-20-11-25-50-53(44)38-17-6-9-23-47(38)58-50;1-2-14-34(15-3-1)55-43-23-7-4-16-36(43)37-31-30-33(32-47(37)55)35-19-10-22-42-51-44(24-13-27-48(51)57-52(35)42)56(45-25-11-20-40-38-17-5-8-28-49(38)58-53(40)45)46-26-12-21-41-39-18-6-9-29-50(39)59-54(41)46;1-2-13-35(14-3-1)55-43-20-7-4-15-36(43)41-31-33(27-29-44(41)55)34-28-30-48-42(32-34)52-45(21-12-24-49(52)57-48)56(46-22-10-18-39-37-16-5-8-25-50(37)58-53(39)46)47-23-11-19-40-38-17-6-9-26-51(38)59-54(40)47/h1-36H;3*1-32H
InChIKeyRZXZGNANYOLEJT-UHFFFAOYSA-N
MW3183.88 g/mol
LogP66.48
Rot. Bonds21

About N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzofuran-1-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-6-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine

N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzofuran-1-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-6-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine (PubChem CID 160775883) has the molecular formula C222H132N8O7S5 and a molecular weight of 3183.88 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzofuran-1-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-6-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzofuran-1-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-6-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
PubChem CID160775883
Molecular FormulaC222H132N8O7S5
Molecular Weight3183.88 g/mol
Exact Mass3180.88
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzofuran-1-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-6-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cccc(N(c7ccc(-c8cccc9c8oc8ccccc89)cc7)c7ccc8sc9ccccc9c8c7)c6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cccc(N(c7cccc8c7sc7ccccc78)c7cccc8c7sc7ccccc78)c6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cccc(N(c7cccc8oc9ccccc9c78)c7cccc8oc9ccccc9c78)c6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cccc5c4oc4cccc(N(c6cccc7c6sc6ccccc67)c6cccc7c6sc6ccccc67)c45)cc32)cc1
InChIInChI=1S/C60H36N2O2S.C54H32N2O3.2C54H32N2OS2/c1-2-12-40(13-3-1)62-51-19-7-4-14-44(51)48-34-38(26-31-52(48)62)39-27-32-55-50(35-39)59-53(20-11-22-56(59)63-55)61(42-30-33-58-49(36-42)46-16-6-9-23-57(46)65-58)41-28-24-37(25-29-41)43-17-10-18-47-45-15-5-8-21-54(45)64-60(43)47;1-2-13-35(14-3-1)55-41-18-7-4-15-36(41)39-31-33(27-29-42(39)55)34-28-30-48-40(32-34)54-45(21-12-26-51(54)59-48)56(43-19-10-24-49-52(43)37-16-5-8-22-46(37)57-49)44-20-11-25-50-53(44)38-17-6-9-23-47(38)58-50;1-2-14-34(15-3-1)55-43-23-7-4-16-36(43)37-31-30-33(32-47(37)55)35-19-10-22-42-51-44(24-13-27-48(51)57-52(35)42)56(45-25-11-20-40-38-17-5-8-28-49(38)58-53(40)45)46-26-12-21-41-39-18-6-9-29-50(39)59-54(41)46;1-2-13-35(14-3-1)55-43-20-7-4-15-36(43)41-31-33(27-29-44(41)55)34-28-30-48-42(32-34)52-45(21-12-24-49(52)57-48)56(46-22-10-18-39-37-16-5-8-25-50(37)58-53(39)46)47-23-11-19-40-38-17-6-9-26-51(38)59-54(40)47/h1-36H;3*1-32H
InChIKeyRZXZGNANYOLEJT-UHFFFAOYSA-N
XLogP66.48
TPSA124.66 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms242
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003183.88
LogP ≤ 566.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzofuran-1-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-6-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yl-4-(9-phenylcarbazol-3-yl)naphthalen-1-amine;N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzofuran-2-amine;N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzothiophen-4-amine
CID 157314765
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 159292400
N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 161408674
1-N-dibenzofuran-4-yl-3-N-dibenzothiophen-2-yl-3-N-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-1-N-phenylbenzene-1,3-diamine;3-N-(8-dibenzofuran-2-yldibenzothiophen-2-yl)-3-N-dibenzothiophen-2-yl-1-N,1-N-diphenylbenzene-1,3-diamine;3-N-dibenzothiophen-2-yl-3-N-(8-dibenzothiophen-2-yldibenzothiophen-1-yl)-1-N,1-N-diphenylbenzene-1,3-diamine;3-N-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-1-N,1-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]benzene-1,3-diamine
CID 160796602
1-N-dibenzofuran-4-yl-3-N-dibenzothiophen-3-yl-1-N-phenyl-3-N-[2-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-1-yl]phenyl]benzene-1,3-diamine;3-N-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-1-N,1-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;1-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-1-yl]benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-1-yl]benzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-1-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]benzene-1,3-diamine
CID 159360188
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine
CID 158765488
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(8-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine
CID 168814389
N,N-di(dibenzothiophen-3-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138577647
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline
CID 118428329
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)aniline
CID 168804920
N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine
CID 160591901
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 158890240

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzofuran-1-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-6-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzofuran-1-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-6-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine (CID 160775883) is N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzofuran-1-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-6-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzofuran-1-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-6-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzofuran-1-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-6-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine is c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cccc(N(c7ccc(-c8cccc9c8oc8ccccc89)cc7)c7ccc8sc9ccccc9c8c7)c6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cccc(N(c7cccc8c7sc7ccccc78)c7cccc8c7sc7ccccc78)c6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cccc(N(c7cccc8oc9ccccc9c78)c7cccc8oc9ccccc9c78)c6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cccc5c4oc4cccc(N(c6cccc7c6sc6ccccc67)c6cccc7c6sc6ccccc67)c45)cc32)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzofuran-1-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-6-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine?
The InChIKey is RZXZGNANYOLEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2O2S.C54H32N2O3.2C54H32N2OS2/c1-2-12-40(13-3-1)62-51-19-7-4-14-44(51)48-34-38(26-31-52(48)62)39-27-32-55-50(35-39)59-53(20-11-22-56(59)63-55)61(42-30-33-58-49(36-42)46-16-6-9-23-57(46)65-58)41-28-24-37(25-29-41)43-17-10-18-47-45-15-5-8-21-54(45)64-60(43)47;1-2-13-35(14-3-1)55-41-18-7-4-15-36(41)39-31-33(27-29-42(39)55)34-28-30-48-40(32-34)54-45(21-12-26-51(54)59-48)56(43-19-10-24-49-52(43)37-16-5-8-22-46(37)57-49)44-20-11-25-50-53(44)38-17-6-9-23-47(38)58-50;1-2-14-34(15-3-1)55-43-23-7-4-16-36(43)37-31-30-33(32-47(37)55)35-19-10-22-42-51-44(24-13-27-48(51)57-52(35)42)56(45-25-11-20-40-38-17-5-8-28-49(38)58-53(40)45)46-26-12-21-41-39-18-6-9-29-50(39)59-54(41)46;1-2-13-35(14-3-1)55-43-20-7-4-15-36(43)41-31-33(27-29-44(41)55)34-28-30-48-42(32-34)52-45(21-12-24-49(52)57-48)56(46-22-10-18-39-37-16-5-8-25-50(37)58-53(39)46)47-23-11-19-40-38-17-6-9-26-51(38)59-54(40)47/h1-36H;3*1-32H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzofuran-1-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-6-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzofuran-1-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-6-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine has a molecular weight of 3183.88 g/mol, XLogP of 66.48, 21 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzofuran-1-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-6-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine is sourced from PubChem (CID 160775883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).