8-(4-tert-butylphenyl)-11-methoxy-14,22-diphenyl-8,14,22-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene;23-(4-tert-butylphenyl)-N,10,10,31,31-pentamethyl-N-phenyl-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24,26,28-tridecaen-20-amine;23-(4-tert-butylphenyl)-10,10,20-trimethyl-N,N-diphenyl-31-oxa-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24(29),25,27-tridecaen-26-amine;23-(4-tert-butylphenyl)-10,10,20-trimethyl-N,N-diphenyl-31-thia-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24(29),25,27-tridecaen-26-amine

C196H170B4N12O2S — CID 165003071

About 8-(4-tert-butylphenyl)-11-methoxy-14,22-diphenyl-8,14,22-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene;23-(4-tert-butylphenyl)-N,10,10,31,31-pentamethyl-N-phenyl-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24,26,28-tridecaen-20-amine;23-(4-tert-butylphenyl)-10,10,20-trimethyl-N,N-diphenyl-31-oxa-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24(29),25,27-tridecaen-26-amine;23-(4-tert-butylphenyl)-10,10,20-trimethyl-N,N-diphenyl-31-thia-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24(29),25,27-tridecaen-26-amine

8-(4-tert-butylphenyl)-11-methoxy-14,22-diphenyl-8,14,22-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene;23-(4-tert-butylphenyl)-N,10,10,31,31-pentamethyl-N-phenyl-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24,26,28-tridecaen-20-amine;23-(4-tert-butylphenyl)-10,10,20-trimethyl-N,N-diphenyl-31-oxa-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24(29),25,27-tridecaen-26-amine;23-(4-tert-butylphenyl)-10,10,20-trimethyl-N,N-diphenyl-31-thia-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24(29),25,27-tridecaen-26-amine (PubChem CID 165003071) has the molecular formula C196H170B4N12O2S and a molecular weight of 2800.91 g/mol. Its IUPAC name is 8-(4-tert-butylphenyl)-11-methoxy-14,22-diphenyl-8,14,22-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene;23-(4-tert-butylphenyl)-N,10,10,31,31-pentamethyl-N-phenyl-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24,26,28-tridecaen-20-amine;23-(4-tert-butylphenyl)-10,10,20-trimethyl-N,N-diphenyl-31-oxa-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24(29),25,27-tridecaen-26-amine;23-(4-tert-butylphenyl)-10,10,20-trimethyl-N,N-diphenyl-31-thia-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24(29),25,27-tridecaen-26-amine.

Molecular Properties

• Compound Name: 8-(4-tert-butylphenyl)-11-methoxy-14,22-diphenyl-8,14,22-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene;23-(4-tert-butylphenyl)-N,10,10,31,31-pentamethyl-N-phenyl-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24,26,28-tridecaen-20-amine;23-(4-tert-butylphenyl)-10,10,20-trimethyl-N,N-diphenyl-31-oxa-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24(29),25,27-tridecaen-26-amine;23-(4-tert-butylphenyl)-10,10,20-trimethyl-N,N-diphenyl-31-thia-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24(29),25,27-tridecaen-26-amine
• PubChem CID: 165003071
• Molecular Formula: C196H170B4N12O2S
• Molecular Weight: 2800.91 g/mol
• Exact Mass: 2799.37
• IUPAC Name: 8-(4-tert-butylphenyl)-11-methoxy-14,22-diphenyl-8,14,22-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene;23-(4-tert-butylphenyl)-N,10,10,31,31-pentamethyl-N-phenyl-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24,26,28-tridecaen-20-amine;23-(4-tert-butylphenyl)-10,10,20-trimethyl-N,N-diphenyl-31-oxa-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24(29),25,27-tridecaen-26-amine;23-(4-tert-butylphenyl)-10,10,20-trimethyl-N,N-diphenyl-31-thia-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24(29),25,27-tridecaen-26-amine
• SMILES: CN(c1ccccc1)c1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1)c1ccccc1B3C1=C3c4c(cccc4C(C)(C)c4ccccc4N32)C1(C)C.COc1cc2c3c(c1)N(c1ccccc1)c1c(n(-c4ccccc4)c4ccccc14)B3c1ccccc1N2c1ccc(C(C)(C)C)cc1.Cc1cc2c3c(c1)N1c4ccccc4C(C)(C)c4cccc5oc(c1c45)B3c1ccc(N(c3ccccc3)c3ccccc3)cc1N2c1ccc(C(C)(C)C)cc1.Cc1cc2c3c(c1)N1c4ccccc4C(C)(C)c4cccc5sc(c1c45)B3c1ccc(N(c3ccccc3)c3ccccc3)cc1N2c1ccc(C(C)(C)C)cc1
• InChI: InChI=1S/C52H44BN3O.C52H44BN3S.C49H46BN3.C43H36BN3O/c2*1-33-30-44-48-45(31-33)56-42-22-14-13-20-39(42)52(5,6)40-21-15-23-46-47(40)49(56)50(57-46)53(48)41-29-28-38(54(35-16-9-7-10-17-35)36-18-11-8-12-19-36)32-43(41)55(44)37-26-24-34(25-27-37)51(2,3)4;1-47(2,3)31-25-27-33(28-26-31)52-40-24-15-13-22-38(40)50-44-41(52)29-34(51(8)32-17-10-9-11-18-32)30-42(44)53-39-23-14-12-19-35(39)48(4,5)36-20-16-21-37-43(36)45(53)46(50)49(37,6)7;1-43(2,3)29-23-25-32(26-24-29)45-37-22-14-12-20-35(37)44-40-38(45)27-33(48-4)28-39(40)46(30-15-7-5-8-16-30)41-34-19-11-13-21-36(34)47(42(41)44)31-17-9-6-10-18-31/h2*7-32H,1-6H3;9-30H,1-8H3;5-28H,1-4H3
• InChIKey: INXOWTNTZZEEAO-UHFFFAOYSA-N
• XLogP: 45.13
• TPSA: 62.94 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2800.91
LogP ≤ 5	45.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(4-tert-butylphenyl)-11-methoxy-14,22-diphenyl-8,14,22-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene;23-(4-tert-butylphenyl)-N,10,10,31,31-pentamethyl-N-phenyl-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24,26,28-tridecaen-20-amine;23-(4-tert-butylphenyl)-10,10,20-trimethyl-N,N-diphenyl-31-oxa-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24(29),25,27-tridecaen-26-amine;23-(4-tert-butylphenyl)-10,10,20-trimethyl-N,N-diphenyl-31-thia-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24(29),25,27-tridecaen-26-amine?

The IUPAC name of 8-(4-tert-butylphenyl)-11-methoxy-14,22-diphenyl-8,14,22-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene;23-(4-tert-butylphenyl)-N,10,10,31,31-pentamethyl-N-phenyl-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24,26,28-tridecaen-20-amine;23-(4-tert-butylphenyl)-10,10,20-trimethyl-N,N-diphenyl-31-oxa-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24(29),25,27-tridecaen-26-amine;23-(4-tert-butylphenyl)-10,10,20-trimethyl-N,N-diphenyl-31-thia-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24(29),25,27-tridecaen-26-amine (CID 165003071) is 8-(4-tert-butylphenyl)-11-methoxy-14,22-diphenyl-8,14,22-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene;23-(4-tert-butylphenyl)-N,10,10,31,31-pentamethyl-N-phenyl-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24,26,28-tridecaen-20-amine;23-(4-tert-butylphenyl)-10,10,20-trimethyl-N,N-diphenyl-31-oxa-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24(29),25,27-tridecaen-26-amine;23-(4-tert-butylphenyl)-10,10,20-trimethyl-N,N-diphenyl-31-thia-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24(29),25,27-tridecaen-26-amine.

What is the SMILES notation for 8-(4-tert-butylphenyl)-11-methoxy-14,22-diphenyl-8,14,22-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene;23-(4-tert-butylphenyl)-N,10,10,31,31-pentamethyl-N-phenyl-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24,26,28-tridecaen-20-amine;23-(4-tert-butylphenyl)-10,10,20-trimethyl-N,N-diphenyl-31-oxa-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24(29),25,27-tridecaen-26-amine;23-(4-tert-butylphenyl)-10,10,20-trimethyl-N,N-diphenyl-31-thia-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24(29),25,27-tridecaen-26-amine?

The canonical SMILES for 8-(4-tert-butylphenyl)-11-methoxy-14,22-diphenyl-8,14,22-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene;23-(4-tert-butylphenyl)-N,10,10,31,31-pentamethyl-N-phenyl-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24,26,28-tridecaen-20-amine;23-(4-tert-butylphenyl)-10,10,20-trimethyl-N,N-diphenyl-31-oxa-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24(29),25,27-tridecaen-26-amine;23-(4-tert-butylphenyl)-10,10,20-trimethyl-N,N-diphenyl-31-thia-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24(29),25,27-tridecaen-26-amine is CN(c1ccccc1)c1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1)c1ccccc1B3C1=C3c4c(cccc4C(C)(C)c4ccccc4N32)C1(C)C.COc1cc2c3c(c1)N(c1ccccc1)c1c(n(-c4ccccc4)c4ccccc14)B3c1ccccc1N2c1ccc(C(C)(C)C)cc1.Cc1cc2c3c(c1)N1c4ccccc4C(C)(C)c4cccc5oc(c1c45)B3c1ccc(N(c3ccccc3)c3ccccc3)cc1N2c1ccc(C(C)(C)C)cc1.Cc1cc2c3c(c1)N1c4ccccc4C(C)(C)c4cccc5sc(c1c45)B3c1ccc(N(c3ccccc3)c3ccccc3)cc1N2c1ccc(C(C)(C)C)cc1.

What is the InChIKey of 8-(4-tert-butylphenyl)-11-methoxy-14,22-diphenyl-8,14,22-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene;23-(4-tert-butylphenyl)-N,10,10,31,31-pentamethyl-N-phenyl-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24,26,28-tridecaen-20-amine;23-(4-tert-butylphenyl)-10,10,20-trimethyl-N,N-diphenyl-31-oxa-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24(29),25,27-tridecaen-26-amine;23-(4-tert-butylphenyl)-10,10,20-trimethyl-N,N-diphenyl-31-thia-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24(29),25,27-tridecaen-26-amine?

The InChIKey is INXOWTNTZZEEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H44BN3O.C52H44BN3S.C49H46BN3.C43H36BN3O/c2*1-33-30-44-48-45(31-33)56-42-22-14-13-20-39(42)52(5,6)40-21-15-23-46-47(40)49(56)50(57-46)53(48)41-29-28-38(54(35-16-9-7-10-17-35)36-18-11-8-12-19-36)32-43(41)55(44)37-26-24-34(25-27-37)51(2,3)4;1-47(2,3)31-25-27-33(28-26-31)52-40-24-15-13-22-38(40)50-44-41(52)29-34(51(8)32-17-10-9-11-18-32)30-42(44)53-39-23-14-12-19-35(39)48(4,5)36-20-16-21-37-43(36)45(53)46(50)49(37,6)7;1-43(2,3)29-23-25-32(26-24-29)45-37-22-14-12-20-35(37)44-40-38(45)27-33(48-4)28-39(40)46(30-15-7-5-8-16-30)41-34-19-11-13-21-36(34)47(42(41)44)31-17-9-6-10-18-31/h2*7-32H,1-6H3;9-30H,1-8H3;5-28H,1-4H3.

What are the key properties of 8-(4-tert-butylphenyl)-11-methoxy-14,22-diphenyl-8,14,22-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene;23-(4-tert-butylphenyl)-N,10,10,31,31-pentamethyl-N-phenyl-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24,26,28-tridecaen-20-amine;23-(4-tert-butylphenyl)-10,10,20-trimethyl-N,N-diphenyl-31-oxa-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24(29),25,27-tridecaen-26-amine;23-(4-tert-butylphenyl)-10,10,20-trimethyl-N,N-diphenyl-31-thia-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24(29),25,27-tridecaen-26-amine?

8-(4-tert-butylphenyl)-11-methoxy-14,22-diphenyl-8,14,22-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene;23-(4-tert-butylphenyl)-N,10,10,31,31-pentamethyl-N-phenyl-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24,26,28-tridecaen-20-amine;23-(4-tert-butylphenyl)-10,10,20-trimethyl-N,N-diphenyl-31-oxa-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24(29),25,27-tridecaen-26-amine;23-(4-tert-butylphenyl)-10,10,20-trimethyl-N,N-diphenyl-31-thia-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24(29),25,27-tridecaen-26-amine has a molecular weight of 2800.91 g/mol, XLogP of 45.13, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-tert-butylphenyl)-11-methoxy-14,22-diphenyl-8,14,22-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene;23-(4-tert-butylphenyl)-N,10,10,31,31-pentamethyl-N-phenyl-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24,26,28-tridecaen-20-amine;23-(4-tert-butylphenyl)-10,10,20-trimethyl-N,N-diphenyl-31-oxa-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24(29),25,27-tridecaen-26-amine;23-(4-tert-butylphenyl)-10,10,20-trimethyl-N,N-diphenyl-31-thia-17,23-diaza-1-boraoctacyclo[16.11.1.12,5.03,17.04,9.011,16.022,30.024,29]hentriaconta-2,4(9),5,7,11,13,15,18,20,22(30),24(29),25,27-tridecaen-26-amine is sourced from PubChem (CID 165003071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).