14-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenyl-1,3-benzothiazol-5-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenyl-1,3-benzothiazol-6-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene

C204H122N14S7 — CID 158605450

About 14-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenyl-1,3-benzothiazol-5-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenyl-1,3-benzothiazol-6-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene

14-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenyl-1,3-benzothiazol-5-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenyl-1,3-benzothiazol-6-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene (PubChem CID 158605450) has the molecular formula C204H122N14S7 and a molecular weight of 2993.79 g/mol. Its IUPAC name is 14-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenyl-1,3-benzothiazol-5-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenyl-1,3-benzothiazol-6-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 14-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenyl-1,3-benzothiazol-5-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenyl-1,3-benzothiazol-6-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
• PubChem CID: 158605450
• Molecular Formula: C204H122N14S7
• Molecular Weight: 2993.79 g/mol
• Exact Mass: 2990.80
• IUPAC Name: 14-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenyl-1,3-benzothiazol-5-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenyl-1,3-benzothiazol-6-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
• SMILES: c1cc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)cc(-c2nc3ccccc3c3c2ccc2c4ccccc4sc23)c1.c1ccc(-c2cc(-c3ccc(-c4cccc(-c5nc6ccccc6c6c5ccc5c7ccccc7sc56)c4)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2nc3cc(-c4cccc(-c5nc6ccccc6c6c5ccc5c7ccccc7sc56)c4)ccc3s2)cc1.c1ccc(-c2nc3ccc(-c4cccc(-c5nc6ccccc6c6c5ccc5c7ccccc7sc56)c4)cc3s2)cc1.c1cncc(-c2cc(-c3cccc(-c4nc5ccccc5c5c4ccc4c6ccccc6sc45)c3)cc(-c3cccnc3)n2)c1
• InChI: InChI=1S/C48H30N2S.2C40H24N4S.2C38H22N2S2/c1-3-12-33(13-4-1)43-29-37(30-44(49-43)34-14-5-2-6-15-34)32-24-22-31(23-25-32)35-16-11-17-36(28-35)47-41-27-26-39-38-18-8-10-21-45(38)51-48(39)46(41)40-19-7-9-20-42(40)50-47;1-3-14-34-32(13-1)38-33(17-16-31-30-12-2-4-15-37(30)45-40(31)38)39(44-34)26-9-5-8-25(20-26)29-21-35(27-10-6-18-41-23-27)43-36(22-29)28-11-7-19-42-24-28;1-3-10-34-32(9-1)38-33(13-12-31-30-8-2-4-11-37(30)45-40(31)38)39(44-34)28-7-5-6-27(22-28)29-23-35(25-14-18-41-19-15-25)43-36(24-29)26-16-20-42-21-17-26;1-2-9-23(10-3-1)38-40-32-22-25(17-20-34(32)42-38)24-11-8-12-26(21-24)36-30-19-18-28-27-13-5-7-16-33(27)41-37(28)35(30)29-14-4-6-15-31(29)39-36;1-2-9-23(10-3-1)38-40-32-20-17-25(22-34(32)42-38)24-11-8-12-26(21-24)36-30-19-18-28-27-13-5-7-16-33(27)41-37(28)35(30)29-14-4-6-15-31(29)39-36/h1-30H;2*1-24H;2*1-22H
• InChIKey: HWDVSYVFRBNGIU-UHFFFAOYSA-N
• XLogP: 57.44
• TPSA: 180.46 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 19
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2993.79
LogP ≤ 5	57.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 14-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenyl-1,3-benzothiazol-5-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenyl-1,3-benzothiazol-6-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?

The IUPAC name of 14-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenyl-1,3-benzothiazol-5-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenyl-1,3-benzothiazol-6-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene (CID 158605450) is 14-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenyl-1,3-benzothiazol-5-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenyl-1,3-benzothiazol-6-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene.

What is the SMILES notation for 14-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenyl-1,3-benzothiazol-5-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenyl-1,3-benzothiazol-6-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?

The canonical SMILES for 14-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenyl-1,3-benzothiazol-5-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenyl-1,3-benzothiazol-6-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene is c1cc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)cc(-c2nc3ccccc3c3c2ccc2c4ccccc4sc23)c1.c1ccc(-c2cc(-c3ccc(-c4cccc(-c5nc6ccccc6c6c5ccc5c7ccccc7sc56)c4)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2nc3cc(-c4cccc(-c5nc6ccccc6c6c5ccc5c7ccccc7sc56)c4)ccc3s2)cc1.c1ccc(-c2nc3ccc(-c4cccc(-c5nc6ccccc6c6c5ccc5c7ccccc7sc56)c4)cc3s2)cc1.c1cncc(-c2cc(-c3cccc(-c4nc5ccccc5c5c4ccc4c6ccccc6sc45)c3)cc(-c3cccnc3)n2)c1.

What is the InChIKey of 14-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenyl-1,3-benzothiazol-5-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenyl-1,3-benzothiazol-6-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?

The InChIKey is HWDVSYVFRBNGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2S.2C40H24N4S.2C38H22N2S2/c1-3-12-33(13-4-1)43-29-37(30-44(49-43)34-14-5-2-6-15-34)32-24-22-31(23-25-32)35-16-11-17-36(28-35)47-41-27-26-39-38-18-8-10-21-45(38)51-48(39)46(41)40-19-7-9-20-42(40)50-47;1-3-14-34-32(13-1)38-33(17-16-31-30-12-2-4-15-37(30)45-40(31)38)39(44-34)26-9-5-8-25(20-26)29-21-35(27-10-6-18-41-23-27)43-36(22-29)28-11-7-19-42-24-28;1-3-10-34-32(9-1)38-33(13-12-31-30-8-2-4-11-37(30)45-40(31)38)39(44-34)28-7-5-6-27(22-28)29-23-35(25-14-18-41-19-15-25)43-36(24-29)26-16-20-42-21-17-26;1-2-9-23(10-3-1)38-40-32-22-25(17-20-34(32)42-38)24-11-8-12-26(21-24)36-30-19-18-28-27-13-5-7-16-33(27)41-37(28)35(30)29-14-4-6-15-31(29)39-36;1-2-9-23(10-3-1)38-40-32-20-17-25(22-34(32)42-38)24-11-8-12-26(21-24)36-30-19-18-28-27-13-5-7-16-33(27)41-37(28)35(30)29-14-4-6-15-31(29)39-36/h1-30H;2*1-24H;2*1-22H.

What are the key properties of 14-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenyl-1,3-benzothiazol-5-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenyl-1,3-benzothiazol-6-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?

14-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenyl-1,3-benzothiazol-5-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenyl-1,3-benzothiazol-6-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene has a molecular weight of 2993.79 g/mol, XLogP of 57.44, 19 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenyl-1,3-benzothiazol-5-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenyl-1,3-benzothiazol-6-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene is sourced from PubChem (CID 158605450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).