2-(4-carbazol-9-ylcarbazol-9-yl)-3-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(4-carbazol-9-ylcarbazol-9-yl)-4-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;4-carbazol-9-yl-9-[3-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;4-carbazol-9-yl-9-[4-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole

C200H116N20 — CID 158148881

IUPAC2-(4-carbazol-9-ylcarbazol-9-yl)-3-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(4-carbazol-9-ylcarbazol-9-yl)-4-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;4-carbazol-9-yl-9-[3-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;4-carbazol-9-yl-9-[4-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
SMILES[C-]#[N+]c1ccc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c(-c2ccccc2-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1c([N+]#[C-])cccc1-n1c2ccccc2c2c(-n3c4ccccc4c4ccccc43)cccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccc(C#N)cc1-n1c2ccccc2c2c(-n3c4ccccc4c4ccccc43)cccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1cccc(C#N)c1-n1c2ccccc2c2c(-n3c4ccccc4c4ccccc43)cccc21
InChIInChI=1S/4C50H29N5/c1-51-32-29-30-45-38(31-32)35-17-5-10-23-42(35)53(45)43-24-11-6-18-36(43)49-39(52-2)20-13-26-46(49)55-44-25-12-7-19-37(44)50-47(27-14-28-48(50)55)54-40-21-8-3-15-33(40)34-16-4-9-22-41(34)54;1-51-32-26-28-46-39(30-32)36-16-5-10-21-43(36)53(46)44-22-11-6-17-37(44)40-31-33(52-2)27-29-47(40)55-45-23-12-7-18-38(45)50-48(24-13-25-49(50)55)54-41-19-8-3-14-34(41)35-15-4-9-20-42(35)54;1-52-33-26-28-46-40(30-33)37-16-5-10-21-44(37)53(46)41-18-7-4-15-36(41)38-27-25-32(31-51)29-49(38)55-45-22-11-6-17-39(45)50-47(23-12-24-48(50)55)54-42-19-8-2-13-34(42)35-14-3-9-20-43(35)54;1-52-33-28-29-46-40(30-33)37-18-5-10-24-44(37)53(46)43-23-9-4-17-36(43)38-20-12-14-32(31-51)50(38)55-45-25-11-6-19-39(45)49-47(26-13-27-48(49)55)54-41-21-7-2-15-34(41)35-16-3-8-22-42(35)54/h2*3-31H;2*2-30H
InChIKeyFUVVMLHZSKFYCG-UHFFFAOYSA-N
MW2799.27 g/mol
LogP53.63
Rot. Bonds16

About 2-(4-carbazol-9-ylcarbazol-9-yl)-3-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(4-carbazol-9-ylcarbazol-9-yl)-4-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;4-carbazol-9-yl-9-[3-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;4-carbazol-9-yl-9-[4-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole

2-(4-carbazol-9-ylcarbazol-9-yl)-3-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(4-carbazol-9-ylcarbazol-9-yl)-4-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;4-carbazol-9-yl-9-[3-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;4-carbazol-9-yl-9-[4-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole (PubChem CID 158148881) has the molecular formula C200H116N20 and a molecular weight of 2799.27 g/mol. Its IUPAC name is 2-(4-carbazol-9-ylcarbazol-9-yl)-3-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(4-carbazol-9-ylcarbazol-9-yl)-4-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;4-carbazol-9-yl-9-[3-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;4-carbazol-9-yl-9-[4-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name2-(4-carbazol-9-ylcarbazol-9-yl)-3-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(4-carbazol-9-ylcarbazol-9-yl)-4-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;4-carbazol-9-yl-9-[3-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;4-carbazol-9-yl-9-[4-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
PubChem CID158148881
Molecular FormulaC200H116N20
Molecular Weight2799.27 g/mol
Exact Mass2796.97
IUPAC Name2-(4-carbazol-9-ylcarbazol-9-yl)-3-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(4-carbazol-9-ylcarbazol-9-yl)-4-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;4-carbazol-9-yl-9-[3-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;4-carbazol-9-yl-9-[4-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
SMILES[C-]#[N+]c1ccc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c(-c2ccccc2-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1c([N+]#[C-])cccc1-n1c2ccccc2c2c(-n3c4ccccc4c4ccccc43)cccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccc(C#N)cc1-n1c2ccccc2c2c(-n3c4ccccc4c4ccccc43)cccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1cccc(C#N)c1-n1c2ccccc2c2c(-n3c4ccccc4c4ccccc43)cccc21
InChIInChI=1S/4C50H29N5/c1-51-32-29-30-45-38(31-32)35-17-5-10-23-42(35)53(45)43-24-11-6-18-36(43)49-39(52-2)20-13-26-46(49)55-44-25-12-7-19-37(44)50-47(27-14-28-48(50)55)54-40-21-8-3-15-33(40)34-16-4-9-22-41(34)54;1-51-32-26-28-46-39(30-32)36-16-5-10-21-43(36)53(46)44-22-11-6-17-37(44)40-31-33(52-2)27-29-47(40)55-45-23-12-7-18-38(45)50-48(24-13-25-49(50)55)54-41-19-8-3-14-34(41)35-15-4-9-20-42(35)54;1-52-33-26-28-46-40(30-33)37-16-5-10-21-44(37)53(46)41-18-7-4-15-36(41)38-27-25-32(31-51)29-49(38)55-45-22-11-6-17-39(45)50-47(23-12-24-48(50)55)54-42-19-8-2-13-34(42)35-14-3-9-20-43(35)54;1-52-33-28-29-46-40(30-33)37-18-5-10-24-44(37)53(46)43-23-9-4-17-36(43)38-20-12-14-32(31-51)50(38)55-45-25-11-6-19-39(45)49-47(26-13-27-48(49)55)54-41-21-7-2-15-34(41)35-16-3-8-22-42(35)54/h2*3-31H;2*2-30H
InChIKeyFUVVMLHZSKFYCG-UHFFFAOYSA-N
XLogP53.63
TPSA132.90 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002799.27
LogP ≤ 553.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-(4-carbazol-9-ylcarbazol-9-yl)-3-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(4-carbazol-9-ylcarbazol-9-yl)-4-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;4-carbazol-9-yl-9-[3-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;4-carbazol-9-yl-9-[4-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole with MolForge

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Related Compounds

2-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-(3-isocyanocarbazol-9-yl)benzonitrile;3-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(3-isocyanocarbazol-9-yl)benzonitrile;4-carbazol-9-yl-9-[2-[4-isocyano-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;4-carbazol-9-yl-9-[3-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
CID 158470563
9-[2-(2-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile;9-[2-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile;9-[2-(2-carbazol-9-yl-5-isocyanophenyl)phenyl]carbazole-3-carbonitrile;9-[2-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[4-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[4-cyano-2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 158250741
3-(4-carbazol-9-ylcarbazol-9-yl)-4-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;4-(4-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;4-carbazol-9-yl-9-[3-isocyano-2-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
CID 159244859
9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile;9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile;5-carbazol-9-yl-9-[2-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]-3-isocyanocarbazole
CID 157463468
3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-2-(3-isocyanocarbazol-9-yl)benzonitrile;4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-3-(3-isocyanocarbazol-9-yl)benzonitrile;9-[2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-3-isocyanophenyl]-3-isocyanocarbazole;9-[2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-isocyanophenyl]-3-isocyanocarbazole
CID 158973456
10-(2-carbazol-9-yl-5-isocyanophenyl)-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzothiolo[2,3-a]carbazole;9-[2-cyano-6-(12-phenyl-[1]benzofuro[2,3-a]carbazol-10-yl)phenyl]carbazole-3-carbonitrile;9-[4-isocyano-2-(12-phenyl-[1]benzofuro[2,3-a]carbazol-10-yl)phenyl]carbazole-3-carbonitrile;9-[5-isocyano-2-(12-phenyl-[1]benzofuro[2,3-a]carbazol-10-yl)phenyl]carbazole-3-carbonitrile
CID 159593044
9-[2-[2-carbazol-9-yl-3-(3-isocyanophenyl)phenyl]phenyl]carbazole;2-[3-(2-carbazol-9-ylphenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;9-[2-(2-carbazol-9-yl-3-phenylphenyl)-6-cyanophenyl]carbazole-3-carbonitrile;9-[2-[3-(2-cyanophenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 157352545
9-[2-(2-carbazol-9-ylphenyl)phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 159259962
3-(2-carbazol-9-yl-5-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;3-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;2-carbazol-9-yl-3-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile;3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile
CID 159603459
2-carbazol-9-yl-3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-3-yl)benzonitrile;3-carbazol-9-yl-4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-3-yl)benzonitrile;9-[2-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-3-yl)-3-isocyanophenyl]carbazole;9-[2-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-3-yl)-4-isocyanophenyl]carbazole;9-[2-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-3-yl)-3-isocyanophenyl]-3-isocyanocarbazole
CID 161315918
9-[2-[2-(4-carbazol-9-ylphenyl)-6-isocyanophenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[2-(4-carbazol-9-ylphenyl)-6-isocyanophenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-[2-isocyano-6-[4-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 159796997
4-[9-[2-[2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-5-(4-cyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 161184539

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-ylcarbazol-9-yl)-3-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(4-carbazol-9-ylcarbazol-9-yl)-4-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;4-carbazol-9-yl-9-[3-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;4-carbazol-9-yl-9-[4-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole?
The IUPAC name of 2-(4-carbazol-9-ylcarbazol-9-yl)-3-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(4-carbazol-9-ylcarbazol-9-yl)-4-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;4-carbazol-9-yl-9-[3-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;4-carbazol-9-yl-9-[4-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole (CID 158148881) is 2-(4-carbazol-9-ylcarbazol-9-yl)-3-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(4-carbazol-9-ylcarbazol-9-yl)-4-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;4-carbazol-9-yl-9-[3-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;4-carbazol-9-yl-9-[4-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 2-(4-carbazol-9-ylcarbazol-9-yl)-3-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(4-carbazol-9-ylcarbazol-9-yl)-4-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;4-carbazol-9-yl-9-[3-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;4-carbazol-9-yl-9-[4-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 2-(4-carbazol-9-ylcarbazol-9-yl)-3-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(4-carbazol-9-ylcarbazol-9-yl)-4-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;4-carbazol-9-yl-9-[3-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;4-carbazol-9-yl-9-[4-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole is [C-]#[N+]c1ccc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c(-c2ccccc2-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1c([N+]#[C-])cccc1-n1c2ccccc2c2c(-n3c4ccccc4c4ccccc43)cccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccc(C#N)cc1-n1c2ccccc2c2c(-n3c4ccccc4c4ccccc43)cccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1cccc(C#N)c1-n1c2ccccc2c2c(-n3c4ccccc4c4ccccc43)cccc21.
What is the InChIKey of 2-(4-carbazol-9-ylcarbazol-9-yl)-3-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(4-carbazol-9-ylcarbazol-9-yl)-4-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;4-carbazol-9-yl-9-[3-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;4-carbazol-9-yl-9-[4-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole?
The InChIKey is FUVVMLHZSKFYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C50H29N5/c1-51-32-29-30-45-38(31-32)35-17-5-10-23-42(35)53(45)43-24-11-6-18-36(43)49-39(52-2)20-13-26-46(49)55-44-25-12-7-19-37(44)50-47(27-14-28-48(50)55)54-40-21-8-3-15-33(40)34-16-4-9-22-41(34)54;1-51-32-26-28-46-39(30-32)36-16-5-10-21-43(36)53(46)44-22-11-6-17-37(44)40-31-33(52-2)27-29-47(40)55-45-23-12-7-18-38(45)50-48(24-13-25-49(50)55)54-41-19-8-3-14-34(41)35-15-4-9-20-42(35)54;1-52-33-26-28-46-40(30-33)37-16-5-10-21-44(37)53(46)41-18-7-4-15-36(41)38-27-25-32(31-51)29-49(38)55-45-22-11-6-17-39(45)50-47(23-12-24-48(50)55)54-42-19-8-2-13-34(42)35-14-3-9-20-43(35)54;1-52-33-28-29-46-40(30-33)37-18-5-10-24-44(37)53(46)43-23-9-4-17-36(43)38-20-12-14-32(31-51)50(38)55-45-25-11-6-19-39(45)49-47(26-13-27-48(49)55)54-41-21-7-2-15-34(41)35-16-3-8-22-42(35)54/h2*3-31H;2*2-30H.
What are the key properties of 2-(4-carbazol-9-ylcarbazol-9-yl)-3-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(4-carbazol-9-ylcarbazol-9-yl)-4-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;4-carbazol-9-yl-9-[3-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;4-carbazol-9-yl-9-[4-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole?
2-(4-carbazol-9-ylcarbazol-9-yl)-3-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(4-carbazol-9-ylcarbazol-9-yl)-4-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;4-carbazol-9-yl-9-[3-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;4-carbazol-9-yl-9-[4-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole has a molecular weight of 2799.27 g/mol, XLogP of 53.63, 16 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbazol-9-ylcarbazol-9-yl)-3-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(4-carbazol-9-ylcarbazol-9-yl)-4-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;4-carbazol-9-yl-9-[3-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;4-carbazol-9-yl-9-[4-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 158148881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).