26-(8-chrysen-6-yldibenzofuran-2-yl)-13-phenyl-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene;21-(8-fluoranthen-3-yldibenzofuran-2-yl)-3-phenyl-3-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaene;26-(8-fluoranthen-8-yldibenzofuran-2-yl)-14-phenyl-14-azaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene;13-(3-phenylphenyl)-21-(8-pyren-1-yldibenzofuran-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaene

C256H146N4O4 — CID 165021277

About 26-(8-chrysen-6-yldibenzofuran-2-yl)-13-phenyl-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene;21-(8-fluoranthen-3-yldibenzofuran-2-yl)-3-phenyl-3-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaene;26-(8-fluoranthen-8-yldibenzofuran-2-yl)-14-phenyl-14-azaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene;13-(3-phenylphenyl)-21-(8-pyren-1-yldibenzofuran-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaene

26-(8-chrysen-6-yldibenzofuran-2-yl)-13-phenyl-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene;21-(8-fluoranthen-3-yldibenzofuran-2-yl)-3-phenyl-3-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaene;26-(8-fluoranthen-8-yldibenzofuran-2-yl)-14-phenyl-14-azaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene;13-(3-phenylphenyl)-21-(8-pyren-1-yldibenzofuran-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaene (PubChem CID 165021277) has the molecular formula C256H146N4O4 and a molecular weight of 3342.01 g/mol. Its IUPAC name is 26-(8-chrysen-6-yldibenzofuran-2-yl)-13-phenyl-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene;21-(8-fluoranthen-3-yldibenzofuran-2-yl)-3-phenyl-3-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaene;26-(8-fluoranthen-8-yldibenzofuran-2-yl)-14-phenyl-14-azaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene;13-(3-phenylphenyl)-21-(8-pyren-1-yldibenzofuran-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaene.

Molecular Properties

• Compound Name: 26-(8-chrysen-6-yldibenzofuran-2-yl)-13-phenyl-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene;21-(8-fluoranthen-3-yldibenzofuran-2-yl)-3-phenyl-3-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaene;26-(8-fluoranthen-8-yldibenzofuran-2-yl)-14-phenyl-14-azaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene;13-(3-phenylphenyl)-21-(8-pyren-1-yldibenzofuran-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaene
• PubChem CID: 165021277
• Molecular Formula: C256H146N4O4
• Molecular Weight: 3342.01 g/mol
• Exact Mass: 3339.13
• IUPAC Name: 26-(8-chrysen-6-yldibenzofuran-2-yl)-13-phenyl-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene;21-(8-fluoranthen-3-yldibenzofuran-2-yl)-3-phenyl-3-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaene;26-(8-fluoranthen-8-yldibenzofuran-2-yl)-14-phenyl-14-azaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene;13-(3-phenylphenyl)-21-(8-pyren-1-yldibenzofuran-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaene
• SMILES: c1ccc(-c2cccc(-n3c4ccc5c6ccc(-c7ccc8oc9ccc(-c%10ccc%11ccc%12cccc%13ccc%10c%11c%12%13)cc9c8c7)cc6c6ccccc6c5c4c4ccc5ccccc5c43)c2)cc1.c1ccc(-n2c3cc4c5ccccc5c5cc(-c6ccc7oc8ccc(-c9ccc%10c(c9)-c9cccc%11cccc-%10c9%11)cc8c7c6)ccc5c4cc3c3c4ccccc4ccc32)cc1.c1ccc(-n2c3ccc4ccccc4c3c3c4c(ccc32)c2ccccc2c2cc(-c3ccc5oc6ccc(-c7cc8c9ccccc9ccc8c8ccccc78)cc6c5c3)ccc24)cc1.c1ccc(-n2c3ccc4ccccc4c3c3ccc4c5ccc(-c6ccc7oc8ccc(-c9ccc%10c%11c(cccc9%11)-c9ccccc9-%10)cc8c7c6)cc5c5ccccc5c4c32)cc1
• InChI: InChI=1S/C68H39NO.C64H37NO.2C62H35NO/c1-2-10-40(11-3-1)45-15-9-16-49(36-45)69-61-33-32-56-53-29-25-46(37-58(53)52-18-6-7-19-54(52)66(56)67(61)57-31-22-41-12-4-5-17-51(41)68(57)69)47-26-34-62-59(38-47)60-39-48(27-35-63(60)70-62)50-28-23-44-21-20-42-13-8-14-43-24-30-55(50)65(44)64(42)43;1-2-14-43(15-3-1)65-58-30-24-39-13-5-7-17-45(39)63(58)64-59(65)31-29-51-47-19-9-11-21-49(47)54-34-40(23-28-52(54)62(51)64)41-25-32-60-56(35-41)57-36-42(26-33-61(57)66-60)53-37-55-44-16-6-4-12-38(44)22-27-50(55)46-18-8-10-20-48(46)53;1-2-13-42(14-3-1)63-57-27-22-36-10-4-5-15-43(36)62(57)56-34-52-47-26-21-38(30-50(47)44-16-6-7-17-45(44)53(52)35-58(56)63)40-23-28-59-54(32-40)55-33-41(24-29-60(55)64-59)39-20-25-46-48-18-8-11-37-12-9-19-49(61(37)48)51(46)31-39;1-2-12-40(13-3-1)63-56-30-22-36-11-4-5-14-42(36)60(56)52-29-28-51-46-25-21-37(33-53(46)45-17-8-9-18-49(45)61(51)62(52)63)38-23-31-57-54(34-38)55-35-39(24-32-58(55)64-57)41-26-27-50-44-16-7-6-15-43(44)48-20-10-19-47(41)59(48)50/h1-39H;1-37H;2*1-35H
• InChIKey: LEUOVAQAKCLZBP-UHFFFAOYSA-N
• XLogP: 72.14
• TPSA: 72.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 264
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3342.01
LogP ≤ 5	72.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 26-(8-chrysen-6-yldibenzofuran-2-yl)-13-phenyl-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene;21-(8-fluoranthen-3-yldibenzofuran-2-yl)-3-phenyl-3-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaene;26-(8-fluoranthen-8-yldibenzofuran-2-yl)-14-phenyl-14-azaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene;13-(3-phenylphenyl)-21-(8-pyren-1-yldibenzofuran-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaene?

The IUPAC name of 26-(8-chrysen-6-yldibenzofuran-2-yl)-13-phenyl-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene;21-(8-fluoranthen-3-yldibenzofuran-2-yl)-3-phenyl-3-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaene;26-(8-fluoranthen-8-yldibenzofuran-2-yl)-14-phenyl-14-azaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene;13-(3-phenylphenyl)-21-(8-pyren-1-yldibenzofuran-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaene (CID 165021277) is 26-(8-chrysen-6-yldibenzofuran-2-yl)-13-phenyl-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene;21-(8-fluoranthen-3-yldibenzofuran-2-yl)-3-phenyl-3-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaene;26-(8-fluoranthen-8-yldibenzofuran-2-yl)-14-phenyl-14-azaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene;13-(3-phenylphenyl)-21-(8-pyren-1-yldibenzofuran-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaene.

What is the SMILES notation for 26-(8-chrysen-6-yldibenzofuran-2-yl)-13-phenyl-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene;21-(8-fluoranthen-3-yldibenzofuran-2-yl)-3-phenyl-3-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaene;26-(8-fluoranthen-8-yldibenzofuran-2-yl)-14-phenyl-14-azaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene;13-(3-phenylphenyl)-21-(8-pyren-1-yldibenzofuran-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaene?

The canonical SMILES for 26-(8-chrysen-6-yldibenzofuran-2-yl)-13-phenyl-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene;21-(8-fluoranthen-3-yldibenzofuran-2-yl)-3-phenyl-3-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaene;26-(8-fluoranthen-8-yldibenzofuran-2-yl)-14-phenyl-14-azaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene;13-(3-phenylphenyl)-21-(8-pyren-1-yldibenzofuran-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaene is c1ccc(-c2cccc(-n3c4ccc5c6ccc(-c7ccc8oc9ccc(-c%10ccc%11ccc%12cccc%13ccc%10c%11c%12%13)cc9c8c7)cc6c6ccccc6c5c4c4ccc5ccccc5c43)c2)cc1.c1ccc(-n2c3cc4c5ccccc5c5cc(-c6ccc7oc8ccc(-c9ccc%10c(c9)-c9cccc%11cccc-%10c9%11)cc8c7c6)ccc5c4cc3c3c4ccccc4ccc32)cc1.c1ccc(-n2c3ccc4ccccc4c3c3c4c(ccc32)c2ccccc2c2cc(-c3ccc5oc6ccc(-c7cc8c9ccccc9ccc8c8ccccc78)cc6c5c3)ccc24)cc1.c1ccc(-n2c3ccc4ccccc4c3c3ccc4c5ccc(-c6ccc7oc8ccc(-c9ccc%10c%11c(cccc9%11)-c9ccccc9-%10)cc8c7c6)cc5c5ccccc5c4c32)cc1.

What is the InChIKey of 26-(8-chrysen-6-yldibenzofuran-2-yl)-13-phenyl-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene;21-(8-fluoranthen-3-yldibenzofuran-2-yl)-3-phenyl-3-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaene;26-(8-fluoranthen-8-yldibenzofuran-2-yl)-14-phenyl-14-azaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene;13-(3-phenylphenyl)-21-(8-pyren-1-yldibenzofuran-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaene?

The InChIKey is LEUOVAQAKCLZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H39NO.C64H37NO.2C62H35NO/c1-2-10-40(11-3-1)45-15-9-16-49(36-45)69-61-33-32-56-53-29-25-46(37-58(53)52-18-6-7-19-54(52)66(56)67(61)57-31-22-41-12-4-5-17-51(41)68(57)69)47-26-34-62-59(38-47)60-39-48(27-35-63(60)70-62)50-28-23-44-21-20-42-13-8-14-43-24-30-55(50)65(44)64(42)43;1-2-14-43(15-3-1)65-58-30-24-39-13-5-7-17-45(39)63(58)64-59(65)31-29-51-47-19-9-11-21-49(47)54-34-40(23-28-52(54)62(51)64)41-25-32-60-56(35-41)57-36-42(26-33-61(57)66-60)53-37-55-44-16-6-4-12-38(44)22-27-50(55)46-18-8-10-20-48(46)53;1-2-13-42(14-3-1)63-57-27-22-36-10-4-5-15-43(36)62(57)56-34-52-47-26-21-38(30-50(47)44-16-6-7-17-45(44)53(52)35-58(56)63)40-23-28-59-54(32-40)55-33-41(24-29-60(55)64-59)39-20-25-46-48-18-8-11-37-12-9-19-49(61(37)48)51(46)31-39;1-2-12-40(13-3-1)63-56-30-22-36-11-4-5-14-42(36)60(56)52-29-28-51-46-25-21-37(33-53(46)45-17-8-9-18-49(45)61(51)62(52)63)38-23-31-57-54(34-38)55-35-39(24-32-58(55)64-57)41-26-27-50-44-16-7-6-15-43(44)48-20-10-19-47(41)59(48)50/h1-39H;1-37H;2*1-35H.

What are the key properties of 26-(8-chrysen-6-yldibenzofuran-2-yl)-13-phenyl-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene;21-(8-fluoranthen-3-yldibenzofuran-2-yl)-3-phenyl-3-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaene;26-(8-fluoranthen-8-yldibenzofuran-2-yl)-14-phenyl-14-azaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene;13-(3-phenylphenyl)-21-(8-pyren-1-yldibenzofuran-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaene?

26-(8-chrysen-6-yldibenzofuran-2-yl)-13-phenyl-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene;21-(8-fluoranthen-3-yldibenzofuran-2-yl)-3-phenyl-3-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaene;26-(8-fluoranthen-8-yldibenzofuran-2-yl)-14-phenyl-14-azaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene;13-(3-phenylphenyl)-21-(8-pyren-1-yldibenzofuran-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaene has a molecular weight of 3342.01 g/mol, XLogP of 72.14, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 26-(8-chrysen-6-yldibenzofuran-2-yl)-13-phenyl-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene;21-(8-fluoranthen-3-yldibenzofuran-2-yl)-3-phenyl-3-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaene;26-(8-fluoranthen-8-yldibenzofuran-2-yl)-14-phenyl-14-azaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene;13-(3-phenylphenyl)-21-(8-pyren-1-yldibenzofuran-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaene is sourced from PubChem (CID 165021277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).