17,23-dinaphthalen-2-yl-18,22-diphenyl-6,34-dioxanonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(21),2,4(16),5(13),7,9,11,14,17,19,22,24(36),25,27(35),28,30,32-heptadecaene;N,N-diphenyl-4-[19-[4-(N-phenylanilino)phenyl]-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl]aniline;7-(14,18-diphenyl-19-quinolin-7-yl-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(17),2,4(12),5(9),7,10,13,15,18,20(28),21,23(27),24-tridecaen-13-yl)quinoline;7-(19-quinolin-7-yl-6,26-dioxaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl)quinoline

C228H134N6O4S4 — CID 157318870

About 17,23-dinaphthalen-2-yl-18,22-diphenyl-6,34-dioxanonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(21),2,4(16),5(13),7,9,11,14,17,19,22,24(36),25,27(35),28,30,32-heptadecaene;N,N-diphenyl-4-[19-[4-(N-phenylanilino)phenyl]-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl]aniline;7-(14,18-diphenyl-19-quinolin-7-yl-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(17),2,4(12),5(9),7,10,13,15,18,20(28),21,23(27),24-tridecaen-13-yl)quinoline;7-(19-quinolin-7-yl-6,26-dioxaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl)quinoline

17,23-dinaphthalen-2-yl-18,22-diphenyl-6,34-dioxanonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(21),2,4(16),5(13),7,9,11,14,17,19,22,24(36),25,27(35),28,30,32-heptadecaene;N,N-diphenyl-4-[19-[4-(N-phenylanilino)phenyl]-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl]aniline;7-(14,18-diphenyl-19-quinolin-7-yl-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(17),2,4(12),5(9),7,10,13,15,18,20(28),21,23(27),24-tridecaen-13-yl)quinoline;7-(19-quinolin-7-yl-6,26-dioxaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl)quinoline (PubChem CID 157318870) has the molecular formula C228H134N6O4S4 and a molecular weight of 3149.89 g/mol. Its IUPAC name is 17,23-dinaphthalen-2-yl-18,22-diphenyl-6,34-dioxanonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(21),2,4(16),5(13),7,9,11,14,17,19,22,24(36),25,27(35),28,30,32-heptadecaene;N,N-diphenyl-4-[19-[4-(N-phenylanilino)phenyl]-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl]aniline;7-(14,18-diphenyl-19-quinolin-7-yl-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(17),2,4(12),5(9),7,10,13,15,18,20(28),21,23(27),24-tridecaen-13-yl)quinoline;7-(19-quinolin-7-yl-6,26-dioxaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl)quinoline.

Molecular Properties

• Compound Name: 17,23-dinaphthalen-2-yl-18,22-diphenyl-6,34-dioxanonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(21),2,4(16),5(13),7,9,11,14,17,19,22,24(36),25,27(35),28,30,32-heptadecaene;N,N-diphenyl-4-[19-[4-(N-phenylanilino)phenyl]-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl]aniline;7-(14,18-diphenyl-19-quinolin-7-yl-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(17),2,4(12),5(9),7,10,13,15,18,20(28),21,23(27),24-tridecaen-13-yl)quinoline;7-(19-quinolin-7-yl-6,26-dioxaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl)quinoline
• PubChem CID: 157318870
• Molecular Formula: C228H134N6O4S4
• Molecular Weight: 3149.89 g/mol
• Exact Mass: 3146.93
• IUPAC Name: 17,23-dinaphthalen-2-yl-18,22-diphenyl-6,34-dioxanonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(21),2,4(16),5(13),7,9,11,14,17,19,22,24(36),25,27(35),28,30,32-heptadecaene;N,N-diphenyl-4-[19-[4-(N-phenylanilino)phenyl]-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl]aniline;7-(14,18-diphenyl-19-quinolin-7-yl-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(17),2,4(12),5(9),7,10,13,15,18,20(28),21,23(27),24-tridecaen-13-yl)quinoline;7-(19-quinolin-7-yl-6,26-dioxaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl)quinoline
• SMILES: c1ccc(-c2c(-c3ccc4ccccc4c3)c3ccc4c5ccccc5oc4c3c3cc4c(cc23)c(-c2ccccc2)c(-c2ccc3ccccc3c2)c2ccc3c5ccccc5oc3c24)cc1.c1ccc(-c2c(-c3ccc4cccnc4c3)c3ccc4ccsc4c3c3cc4c(cc23)c(-c2ccccc2)c(-c2ccc3cccnc3c2)c2ccc3ccsc3c24)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc4cc5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c6ccc7ccsc7c6c5cc4c4c3ccc3ccsc34)cc2)cc1.c1cnc2cc(-c3cc4cc5cc(-c6ccc7cccnc7c6)c6ccc7ccoc7c6c5cc4c4c3ccc3ccoc34)ccc2c1
• InChI: InChI=1S/C66H38O2.C62H40N2S2.C56H32N2S2.C44H24N2O2/c1-3-17-41(18-4-1)59-53-37-54-56(38-55(53)63-51(33-31-49-47-23-11-13-25-57(47)67-65(49)63)61(59)45-29-27-39-15-7-9-21-43(39)35-45)64-52(34-32-50-48-24-12-14-26-58(48)68-66(50)64)62(60(54)42-19-5-2-6-20-42)46-30-28-40-16-8-10-22-44(40)36-46;1-5-13-47(14-6-1)63(48-15-7-2-8-16-48)51-27-21-41(22-28-51)55-38-45-37-46-39-56(42-23-29-52(30-24-42)64(49-17-9-3-10-18-49)50-19-11-4-12-20-50)54-32-26-44-34-36-66-62(44)60(54)58(46)40-57(45)59-53(55)31-25-43-33-35-65-61(43)59;1-3-9-35(10-4-1)49-43-31-44-46(32-45(43)53-41(21-19-37-23-27-59-55(37)53)51(49)39-17-15-33-13-7-25-57-47(33)29-39)54-42(22-20-38-24-28-60-56(38)54)52(50(44)36-11-5-2-6-12-36)40-18-16-34-14-8-26-58-48(34)30-40;1-3-25-5-7-29(22-39(25)45-15-1)35-20-31-19-32-21-36(30-8-6-26-4-2-16-46-40(26)23-30)34-12-10-28-14-18-48-44(28)42(34)38(32)24-37(31)41-33(35)11-9-27-13-17-47-43(27)41/h1-38H;1-40H;1-32H;1-24H
• InChIKey: BDXVVQQTKGAYPG-UHFFFAOYSA-N
• XLogP: 66.79
• TPSA: 110.60 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3149.89
LogP ≤ 5	66.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 17,23-dinaphthalen-2-yl-18,22-diphenyl-6,34-dioxanonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(21),2,4(16),5(13),7,9,11,14,17,19,22,24(36),25,27(35),28,30,32-heptadecaene;N,N-diphenyl-4-[19-[4-(N-phenylanilino)phenyl]-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl]aniline;7-(14,18-diphenyl-19-quinolin-7-yl-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(17),2,4(12),5(9),7,10,13,15,18,20(28),21,23(27),24-tridecaen-13-yl)quinoline;7-(19-quinolin-7-yl-6,26-dioxaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl)quinoline?

The IUPAC name of 17,23-dinaphthalen-2-yl-18,22-diphenyl-6,34-dioxanonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(21),2,4(16),5(13),7,9,11,14,17,19,22,24(36),25,27(35),28,30,32-heptadecaene;N,N-diphenyl-4-[19-[4-(N-phenylanilino)phenyl]-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl]aniline;7-(14,18-diphenyl-19-quinolin-7-yl-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(17),2,4(12),5(9),7,10,13,15,18,20(28),21,23(27),24-tridecaen-13-yl)quinoline;7-(19-quinolin-7-yl-6,26-dioxaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl)quinoline (CID 157318870) is 17,23-dinaphthalen-2-yl-18,22-diphenyl-6,34-dioxanonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(21),2,4(16),5(13),7,9,11,14,17,19,22,24(36),25,27(35),28,30,32-heptadecaene;N,N-diphenyl-4-[19-[4-(N-phenylanilino)phenyl]-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl]aniline;7-(14,18-diphenyl-19-quinolin-7-yl-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(17),2,4(12),5(9),7,10,13,15,18,20(28),21,23(27),24-tridecaen-13-yl)quinoline;7-(19-quinolin-7-yl-6,26-dioxaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl)quinoline.

What is the SMILES notation for 17,23-dinaphthalen-2-yl-18,22-diphenyl-6,34-dioxanonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(21),2,4(16),5(13),7,9,11,14,17,19,22,24(36),25,27(35),28,30,32-heptadecaene;N,N-diphenyl-4-[19-[4-(N-phenylanilino)phenyl]-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl]aniline;7-(14,18-diphenyl-19-quinolin-7-yl-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(17),2,4(12),5(9),7,10,13,15,18,20(28),21,23(27),24-tridecaen-13-yl)quinoline;7-(19-quinolin-7-yl-6,26-dioxaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl)quinoline?

The canonical SMILES for 17,23-dinaphthalen-2-yl-18,22-diphenyl-6,34-dioxanonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(21),2,4(16),5(13),7,9,11,14,17,19,22,24(36),25,27(35),28,30,32-heptadecaene;N,N-diphenyl-4-[19-[4-(N-phenylanilino)phenyl]-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl]aniline;7-(14,18-diphenyl-19-quinolin-7-yl-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(17),2,4(12),5(9),7,10,13,15,18,20(28),21,23(27),24-tridecaen-13-yl)quinoline;7-(19-quinolin-7-yl-6,26-dioxaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl)quinoline is c1ccc(-c2c(-c3ccc4ccccc4c3)c3ccc4c5ccccc5oc4c3c3cc4c(cc23)c(-c2ccccc2)c(-c2ccc3ccccc3c2)c2ccc3c5ccccc5oc3c24)cc1.c1ccc(-c2c(-c3ccc4cccnc4c3)c3ccc4ccsc4c3c3cc4c(cc23)c(-c2ccccc2)c(-c2ccc3cccnc3c2)c2ccc3ccsc3c24)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc4cc5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c6ccc7ccsc7c6c5cc4c4c3ccc3ccsc34)cc2)cc1.c1cnc2cc(-c3cc4cc5cc(-c6ccc7cccnc7c6)c6ccc7ccoc7c6c5cc4c4c3ccc3ccoc34)ccc2c1.

What is the InChIKey of 17,23-dinaphthalen-2-yl-18,22-diphenyl-6,34-dioxanonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(21),2,4(16),5(13),7,9,11,14,17,19,22,24(36),25,27(35),28,30,32-heptadecaene;N,N-diphenyl-4-[19-[4-(N-phenylanilino)phenyl]-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl]aniline;7-(14,18-diphenyl-19-quinolin-7-yl-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(17),2,4(12),5(9),7,10,13,15,18,20(28),21,23(27),24-tridecaen-13-yl)quinoline;7-(19-quinolin-7-yl-6,26-dioxaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl)quinoline?

The InChIKey is BDXVVQQTKGAYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H38O2.C62H40N2S2.C56H32N2S2.C44H24N2O2/c1-3-17-41(18-4-1)59-53-37-54-56(38-55(53)63-51(33-31-49-47-23-11-13-25-57(47)67-65(49)63)61(59)45-29-27-39-15-7-9-21-43(39)35-45)64-52(34-32-50-48-24-12-14-26-58(48)68-66(50)64)62(60(54)42-19-5-2-6-20-42)46-30-28-40-16-8-10-22-44(40)36-46;1-5-13-47(14-6-1)63(48-15-7-2-8-16-48)51-27-21-41(22-28-51)55-38-45-37-46-39-56(42-23-29-52(30-24-42)64(49-17-9-3-10-18-49)50-19-11-4-12-20-50)54-32-26-44-34-36-66-62(44)60(54)58(46)40-57(45)59-53(55)31-25-43-33-35-65-61(43)59;1-3-9-35(10-4-1)49-43-31-44-46(32-45(43)53-41(21-19-37-23-27-59-55(37)53)51(49)39-17-15-33-13-7-25-57-47(33)29-39)54-42(22-20-38-24-28-60-56(38)54)52(50(44)36-11-5-2-6-12-36)40-18-16-34-14-8-26-58-48(34)30-40;1-3-25-5-7-29(22-39(25)45-15-1)35-20-31-19-32-21-36(30-8-6-26-4-2-16-46-40(26)23-30)34-12-10-28-14-18-48-44(28)42(34)38(32)24-37(31)41-33(35)11-9-27-13-17-47-43(27)41/h1-38H;1-40H;1-32H;1-24H.

What are the key properties of 17,23-dinaphthalen-2-yl-18,22-diphenyl-6,34-dioxanonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(21),2,4(16),5(13),7,9,11,14,17,19,22,24(36),25,27(35),28,30,32-heptadecaene;N,N-diphenyl-4-[19-[4-(N-phenylanilino)phenyl]-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl]aniline;7-(14,18-diphenyl-19-quinolin-7-yl-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(17),2,4(12),5(9),7,10,13,15,18,20(28),21,23(27),24-tridecaen-13-yl)quinoline;7-(19-quinolin-7-yl-6,26-dioxaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl)quinoline?

17,23-dinaphthalen-2-yl-18,22-diphenyl-6,34-dioxanonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(21),2,4(16),5(13),7,9,11,14,17,19,22,24(36),25,27(35),28,30,32-heptadecaene;N,N-diphenyl-4-[19-[4-(N-phenylanilino)phenyl]-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl]aniline;7-(14,18-diphenyl-19-quinolin-7-yl-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(17),2,4(12),5(9),7,10,13,15,18,20(28),21,23(27),24-tridecaen-13-yl)quinoline;7-(19-quinolin-7-yl-6,26-dioxaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl)quinoline has a molecular weight of 3149.89 g/mol, XLogP of 66.79, 18 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 17,23-dinaphthalen-2-yl-18,22-diphenyl-6,34-dioxanonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(21),2,4(16),5(13),7,9,11,14,17,19,22,24(36),25,27(35),28,30,32-heptadecaene;N,N-diphenyl-4-[19-[4-(N-phenylanilino)phenyl]-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl]aniline;7-(14,18-diphenyl-19-quinolin-7-yl-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(17),2,4(12),5(9),7,10,13,15,18,20(28),21,23(27),24-tridecaen-13-yl)quinoline;7-(19-quinolin-7-yl-6,26-dioxaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl)quinoline is sourced from PubChem (CID 157318870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).