9-[8-([1]benzofuro[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-([1]benzoselenolo[3,2-c]carbazol-5-yl)dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile;9-[8-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3,6-dicarbonitrile

C185H99N17O2Se4 — CID 159524852

IUPAC9-[8-([1]benzofuro[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-([1]benzoselenolo[3,2-c]carbazol-5-yl)dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile;9-[8-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2[se]c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc3c2c1.N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5c6[se]c7ccccc7c6ccc54)cc3c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2[se]c3ccc(-n4c5ccccc5c5c6c(ccc54)-c4ccccc4C6(C)C)cc3c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2[se]c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3c2c1
InChIInChI=1S/C50H27N5Se.C47H28N4Se.2C44H22N4OSe/c51-28-30-14-19-44-38(24-30)39-25-31(29-52)15-20-45(39)53(44)33-16-22-47-40(26-33)41-27-34(17-23-48(41)56-47)54-43-13-7-5-11-37(43)49-46(54)21-18-36-35-10-4-6-12-42(35)55(50(36)49)32-8-2-1-3-9-32;1-47(2)38-10-6-4-8-31(38)32-16-19-42-45(46(32)47)33-9-5-7-11-39(33)51(42)30-15-21-44-37(25-30)36-24-29(14-20-43(36)52-44)50-40-17-12-27(26-48)22-34(40)35-23-28(49-3)13-18-41(35)50;1-46-26-11-16-38-33(21-26)32-20-25(24-45)10-15-37(32)47(38)27-12-18-41-34(22-27)35-23-28(13-19-42(35)50-41)48-36-8-4-2-7-31(36)43-39(48)17-14-30-29-6-3-5-9-40(29)49-44(30)43;45-23-25-9-14-37-32(19-25)33-20-26(24-46)10-15-38(33)47(37)27-11-17-40-34(21-27)35-22-28(12-18-41(35)49-40)48-36-7-3-1-6-31(36)43-39(48)16-13-30-29-5-2-4-8-42(29)50-44(30)43/h1-27H;4-25H,1-2H3;2-23H;1-22H
InChIKeyMCGJLUHLZVQFAX-UHFFFAOYSA-N
MW2907.78 g/mol
LogP46.51
Rot. Bonds9

About 9-[8-([1]benzofuro[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-([1]benzoselenolo[3,2-c]carbazol-5-yl)dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile;9-[8-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3,6-dicarbonitrile

9-[8-([1]benzofuro[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-([1]benzoselenolo[3,2-c]carbazol-5-yl)dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile;9-[8-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3,6-dicarbonitrile (PubChem CID 159524852) has the molecular formula C185H99N17O2Se4 and a molecular weight of 2907.78 g/mol. Its IUPAC name is 9-[8-([1]benzofuro[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-([1]benzoselenolo[3,2-c]carbazol-5-yl)dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile;9-[8-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-[8-([1]benzofuro[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-([1]benzoselenolo[3,2-c]carbazol-5-yl)dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile;9-[8-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3,6-dicarbonitrile
PubChem CID159524852
Molecular FormulaC185H99N17O2Se4
Molecular Weight2907.78 g/mol
Exact Mass2909.48
IUPAC Name9-[8-([1]benzofuro[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-([1]benzoselenolo[3,2-c]carbazol-5-yl)dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile;9-[8-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2[se]c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc3c2c1.N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5c6[se]c7ccccc7c6ccc54)cc3c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2[se]c3ccc(-n4c5ccccc5c5c6c(ccc54)-c4ccccc4C6(C)C)cc3c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2[se]c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3c2c1
InChIInChI=1S/C50H27N5Se.C47H28N4Se.2C44H22N4OSe/c51-28-30-14-19-44-38(24-30)39-25-31(29-52)15-20-45(39)53(44)33-16-22-47-40(26-33)41-27-34(17-23-48(41)56-47)54-43-13-7-5-11-37(43)49-46(54)21-18-36-35-10-4-6-12-42(35)55(50(36)49)32-8-2-1-3-9-32;1-47(2)38-10-6-4-8-31(38)32-16-19-42-45(46(32)47)33-9-5-7-11-39(33)51(42)30-15-21-44-37(25-30)36-24-29(14-20-43(36)52-44)50-40-17-12-27(26-48)22-34(40)35-23-28(49-3)13-18-41(35)50;1-46-26-11-16-38-33(21-26)32-20-25(24-45)10-15-37(32)47(38)27-12-18-41-34(22-27)35-23-28(13-19-42(35)50-41)48-36-8-4-2-7-31(36)43-39(48)17-14-30-29-6-3-5-9-40(29)49-44(30)43;45-23-25-9-14-37-32(19-25)33-20-26(24-46)10-15-38(33)47(37)27-11-17-40-34(21-27)35-22-28(12-18-41(35)49-40)48-36-7-3-1-6-31(36)43-39(48)16-13-30-29-5-2-4-8-42(29)50-44(30)43/h1-27H;4-25H,1-2H3;2-23H;1-22H
InChIKeyMCGJLUHLZVQFAX-UHFFFAOYSA-N
XLogP46.51
TPSA222.11 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002907.78
LogP ≤ 546.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 9-[8-([1]benzofuro[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-([1]benzoselenolo[3,2-c]carbazol-5-yl)dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile;9-[8-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3,6-dicarbonitrile with MolForge

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Related Compounds

9-[8-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)dibenzofuran-2-yl]-6-isocyanocarbazole-3-carbonitrile
CID 140822776
9-[8-([1]benzothiolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;5-[8-(3-isocyanocarbazol-9-yl)dibenzoselenophen-2-yl]-[1]benzofuro[3,2-c]carbazole;9-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile
CID 157485397
9-[8-([1]benzofuro[2,3-a]carbazol-12-yl)dibenzothiophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-([1]benzothiolo[3,2-a]carbazol-12-yl)dibenzothiophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[7-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)dibenzothiophen-2-yl]carbazole-3-carbonitrile;9-[7-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]carbazole-3-carbonitrile
CID 162123031
9-[8-([1]benzofuro[3,2-c]carbazol-5-yl)dibenzothiophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-([1]benzothiolo[3,2-c]carbazol-5-yl)dibenzothiophen-2-yl]carbazole-3,6-dicarbonitrile;9-[8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile;9-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile
CID 158260118
9-[3-(2-isocyano-12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]carbazole-3-carbonitrile
CID 140822973
2-isocyano-5-[8-(3-isocyanocarbazol-9-yl)dibenzofuran-2-yl]-12,12-dimethylindeno[1,2-c]carbazole
CID 140822986
6-isocyano-9-[8-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile
CID 140822677
9-[3-(9-isocyano-[1]benzofuro[3,2-a]carbazol-12-yl)phenyl]carbazole-3-carbonitrile;9-[3-(9-isocyano-[1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]carbazole-3-carbonitrile;9-[3-(3-isocyano-7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]carbazole-3-carbonitrile;9-[3-(9-isocyano-5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]carbazole-3-carbonitrile
CID 159822931
5-[3-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-cyanophenyl]-[1]benzofuro[3,2-c]carbazole-2-carbonitrile;3-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-(3-isocyano-[1]benzofuro[2,3-a]carbazol-12-yl)benzonitrile;3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(2-isocyano-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile;3-(2-isocyano-[1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-(12-phenyl-12H-indeno[1,2-c]carbazol-5-yl)phenyl]benzonitrile
CID 165106485
9-[3-[2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-5-isocyanophenyl]carbazole-3-carbonitrile
CID 140823056
12-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole
CID 122595550
9-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile;9-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[5,5-dimethyl-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile
CID 162261222

Frequently Asked Questions

What is the IUPAC name of 9-[8-([1]benzofuro[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-([1]benzoselenolo[3,2-c]carbazol-5-yl)dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile;9-[8-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-[8-([1]benzofuro[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-([1]benzoselenolo[3,2-c]carbazol-5-yl)dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile;9-[8-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3,6-dicarbonitrile (CID 159524852) is 9-[8-([1]benzofuro[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-([1]benzoselenolo[3,2-c]carbazol-5-yl)dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile;9-[8-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-[8-([1]benzofuro[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-([1]benzoselenolo[3,2-c]carbazol-5-yl)dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile;9-[8-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-[8-([1]benzofuro[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-([1]benzoselenolo[3,2-c]carbazol-5-yl)dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile;9-[8-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3,6-dicarbonitrile is N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2[se]c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc3c2c1.N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5c6[se]c7ccccc7c6ccc54)cc3c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2[se]c3ccc(-n4c5ccccc5c5c6c(ccc54)-c4ccccc4C6(C)C)cc3c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2[se]c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3c2c1.
What is the InChIKey of 9-[8-([1]benzofuro[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-([1]benzoselenolo[3,2-c]carbazol-5-yl)dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile;9-[8-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3,6-dicarbonitrile?
The InChIKey is MCGJLUHLZVQFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H27N5Se.C47H28N4Se.2C44H22N4OSe/c51-28-30-14-19-44-38(24-30)39-25-31(29-52)15-20-45(39)53(44)33-16-22-47-40(26-33)41-27-34(17-23-48(41)56-47)54-43-13-7-5-11-37(43)49-46(54)21-18-36-35-10-4-6-12-42(35)55(50(36)49)32-8-2-1-3-9-32;1-47(2)38-10-6-4-8-31(38)32-16-19-42-45(46(32)47)33-9-5-7-11-39(33)51(42)30-15-21-44-37(25-30)36-24-29(14-20-43(36)52-44)50-40-17-12-27(26-48)22-34(40)35-23-28(49-3)13-18-41(35)50;1-46-26-11-16-38-33(21-26)32-20-25(24-45)10-15-37(32)47(38)27-12-18-41-34(22-27)35-23-28(13-19-42(35)50-41)48-36-8-4-2-7-31(36)43-39(48)17-14-30-29-6-3-5-9-40(29)49-44(30)43;45-23-25-9-14-37-32(19-25)33-20-26(24-46)10-15-38(33)47(37)27-11-17-40-34(21-27)35-22-28(12-18-41(35)49-40)48-36-7-3-1-6-31(36)43-39(48)16-13-30-29-5-2-4-8-42(29)50-44(30)43/h1-27H;4-25H,1-2H3;2-23H;1-22H.
What are the key properties of 9-[8-([1]benzofuro[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-([1]benzoselenolo[3,2-c]carbazol-5-yl)dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile;9-[8-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3,6-dicarbonitrile?
9-[8-([1]benzofuro[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-([1]benzoselenolo[3,2-c]carbazol-5-yl)dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile;9-[8-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3,6-dicarbonitrile has a molecular weight of 2907.78 g/mol, XLogP of 46.51, 9 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-([1]benzofuro[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-([1]benzoselenolo[3,2-c]carbazol-5-yl)dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile;9-[8-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 159524852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).