2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[2,7-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,6-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+))

C218H176N16Pd4Si2 — CID 160774847

IUPAC2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[2,7-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,6-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+))
SMILESCC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C2(c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1)c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1.CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1[Si]2(c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1)c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1.CC(C)(C)c1ccc2c(c1)C(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)c1cc(C(C)(C)C)ccc1-2.CC(C)(C)c1ccc2c(c1)[Si](c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)c1cc(C(C)(C)C)ccc1-2.[Pd+2].[Pd+2].[Pd+2].[Pd+2]
InChIInChI=1S/2C55H44N4.2C54H44N4Si.4Pd/c1-53(2,3)35-23-27-45-43(31-35)44-32-36(54(4,5)6)24-28-46(44)55(45,37-21-25-41-39-15-7-9-17-47(39)58(49(41)33-37)51-19-11-13-29-56-51)38-22-26-42-40-16-8-10-18-48(40)59(50(42)34-38)52-20-12-14-30-57-52;1-53(2,3)35-21-25-39-40-26-22-36(54(4,5)6)32-46(40)55(45(39)31-35,37-23-27-43-41-15-7-9-17-47(41)58(49(43)33-37)51-19-11-13-29-56-51)38-24-28-44-42-16-8-10-18-48(42)59(50(44)34-38)52-20-12-14-30-57-52;1-53(2,3)35-21-27-49-43(31-35)44-32-36(54(4,5)6)22-28-50(44)59(49,37-23-25-41-39-15-7-9-17-45(39)57(47(41)33-37)51-19-11-13-29-55-51)38-24-26-42-40-16-8-10-18-46(40)58(48(42)34-38)52-20-12-14-30-56-52;1-53(2,3)35-21-25-43-44-26-22-36(54(4,5)6)32-50(44)59(49(43)31-35,37-23-27-41-39-15-7-9-17-45(39)57(47(41)33-37)51-19-11-13-29-55-51)38-24-28-42-40-16-8-10-18-46(40)58(48(42)34-38)52-20-12-14-30-56-52;;;;/h4*7-32H,1-6H3;;;;/q4*-2;4*+2
InChIKeyIDGLLESFZPKWGY-UHFFFAOYSA-N
MW3501.77 g/mol
LogP46.90
Rot. Bonds16

About 2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[2,7-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,6-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+))

2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[2,7-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,6-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+)) (PubChem CID 160774847) has the molecular formula C218H176N16Pd4Si2 and a molecular weight of 3501.77 g/mol. Its IUPAC name is 2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[2,7-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,6-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+)).

Molecular Properties

Compound Name2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[2,7-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,6-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+))
PubChem CID160774847
Molecular FormulaC218H176N16Pd4Si2
Molecular Weight3501.77 g/mol
Exact Mass3496.99
IUPAC Name2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[2,7-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,6-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+))
SMILESCC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C2(c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1)c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1.CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1[Si]2(c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1)c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1.CC(C)(C)c1ccc2c(c1)C(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)c1cc(C(C)(C)C)ccc1-2.CC(C)(C)c1ccc2c(c1)[Si](c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)c1cc(C(C)(C)C)ccc1-2.[Pd+2].[Pd+2].[Pd+2].[Pd+2]
InChIInChI=1S/2C55H44N4.2C54H44N4Si.4Pd/c1-53(2,3)35-23-27-45-43(31-35)44-32-36(54(4,5)6)24-28-46(44)55(45,37-21-25-41-39-15-7-9-17-47(39)58(49(41)33-37)51-19-11-13-29-56-51)38-22-26-42-40-16-8-10-18-48(40)59(50(42)34-38)52-20-12-14-30-57-52;1-53(2,3)35-21-25-39-40-26-22-36(54(4,5)6)32-46(40)55(45(39)31-35,37-23-27-43-41-15-7-9-17-47(41)58(49(43)33-37)51-19-11-13-29-56-51)38-24-28-44-42-16-8-10-18-48(42)59(50(44)34-38)52-20-12-14-30-57-52;1-53(2,3)35-21-27-49-43(31-35)44-32-36(54(4,5)6)22-28-50(44)59(49,37-23-25-41-39-15-7-9-17-45(39)57(47(41)33-37)51-19-11-13-29-55-51)38-24-26-42-40-16-8-10-18-46(40)58(48(42)34-38)52-20-12-14-30-56-52;1-53(2,3)35-21-25-43-44-26-22-36(54(4,5)6)32-50(44)59(49(43)31-35,37-23-27-41-39-15-7-9-17-45(39)57(47(41)33-37)51-19-11-13-29-55-51)38-24-28-42-40-16-8-10-18-46(40)58(48(42)34-38)52-20-12-14-30-56-52;;;;/h4*7-32H,1-6H3;;;;/q4*-2;4*+2
InChIKeyIDGLLESFZPKWGY-UHFFFAOYSA-N
XLogP46.90
TPSA142.56 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms240
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003501.77
LogP ≤ 546.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[2,7-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,6-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[2,7-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,6-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+))?
The IUPAC name of 2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[2,7-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,6-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+)) (CID 160774847) is 2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[2,7-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,6-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+)).
What is the SMILES notation for 2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[2,7-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,6-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+))?
The canonical SMILES for 2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[2,7-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,6-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+)) is CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C2(c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1)c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1.CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1[Si]2(c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1)c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1.CC(C)(C)c1ccc2c(c1)C(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)c1cc(C(C)(C)C)ccc1-2.CC(C)(C)c1ccc2c(c1)[Si](c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)c1cc(C(C)(C)C)ccc1-2.[Pd+2].[Pd+2].[Pd+2].[Pd+2].
What is the InChIKey of 2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[2,7-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,6-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+))?
The InChIKey is IDGLLESFZPKWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C55H44N4.2C54H44N4Si.4Pd/c1-53(2,3)35-23-27-45-43(31-35)44-32-36(54(4,5)6)24-28-46(44)55(45,37-21-25-41-39-15-7-9-17-47(39)58(49(41)33-37)51-19-11-13-29-56-51)38-22-26-42-40-16-8-10-18-48(40)59(50(42)34-38)52-20-12-14-30-57-52;1-53(2,3)35-21-25-39-40-26-22-36(54(4,5)6)32-46(40)55(45(39)31-35,37-23-27-43-41-15-7-9-17-47(41)58(49(43)33-37)51-19-11-13-29-56-51)38-24-28-44-42-16-8-10-18-48(42)59(50(44)34-38)52-20-12-14-30-57-52;1-53(2,3)35-21-27-49-43(31-35)44-32-36(54(4,5)6)22-28-50(44)59(49,37-23-25-41-39-15-7-9-17-45(39)57(47(41)33-37)51-19-11-13-29-55-51)38-24-26-42-40-16-8-10-18-46(40)58(48(42)34-38)52-20-12-14-30-56-52;1-53(2,3)35-21-25-43-44-26-22-36(54(4,5)6)32-50(44)59(49(43)31-35,37-23-27-41-39-15-7-9-17-45(39)57(47(41)33-37)51-19-11-13-29-55-51)38-24-28-42-40-16-8-10-18-46(40)58(48(42)34-38)52-20-12-14-30-56-52;;;;/h4*7-32H,1-6H3;;;;/q4*-2;4*+2.
What are the key properties of 2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[2,7-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,6-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+))?
2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[2,7-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,6-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+)) has a molecular weight of 3501.77 g/mol, XLogP of 46.90, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[2,7-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,6-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+)) is sourced from PubChem (CID 160774847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).