3,3-dimethyl-22-phenyl-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;3,22-diphenyl-3,11,22-triaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-3-oxa-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-3-thia-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;10-phenyl-8,10,25-triaza-18-boradecacyclo[30.3.1.02,7.08,35.09,17.011,16.018,34.019,24.025,33.026,31]hexatriaconta-1(35),2,4,6,9(17),11,13,15,19,21,23,26,28,30,32(36),33-hexadecaene

C175H109B5N12OS — CID 158054130

About 3,3-dimethyl-22-phenyl-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;3,22-diphenyl-3,11,22-triaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-3-oxa-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-3-thia-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;10-phenyl-8,10,25-triaza-18-boradecacyclo[30.3.1.02,7.08,35.09,17.011,16.018,34.019,24.025,33.026,31]hexatriaconta-1(35),2,4,6,9(17),11,13,15,19,21,23,26,28,30,32(36),33-hexadecaene

3,3-dimethyl-22-phenyl-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;3,22-diphenyl-3,11,22-triaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-3-oxa-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-3-thia-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;10-phenyl-8,10,25-triaza-18-boradecacyclo[30.3.1.02,7.08,35.09,17.011,16.018,34.019,24.025,33.026,31]hexatriaconta-1(35),2,4,6,9(17),11,13,15,19,21,23,26,28,30,32(36),33-hexadecaene (PubChem CID 158054130) has the molecular formula C175H109B5N12OS and a molecular weight of 2482.01 g/mol. Its IUPAC name is 3,3-dimethyl-22-phenyl-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;3,22-diphenyl-3,11,22-triaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-3-oxa-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-3-thia-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;10-phenyl-8,10,25-triaza-18-boradecacyclo[30.3.1.02,7.08,35.09,17.011,16.018,34.019,24.025,33.026,31]hexatriaconta-1(35),2,4,6,9(17),11,13,15,19,21,23,26,28,30,32(36),33-hexadecaene.

Molecular Properties

• Compound Name: 3,3-dimethyl-22-phenyl-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;3,22-diphenyl-3,11,22-triaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-3-oxa-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-3-thia-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;10-phenyl-8,10,25-triaza-18-boradecacyclo[30.3.1.02,7.08,35.09,17.011,16.018,34.019,24.025,33.026,31]hexatriaconta-1(35),2,4,6,9(17),11,13,15,19,21,23,26,28,30,32(36),33-hexadecaene
• PubChem CID: 158054130
• Molecular Formula: C175H109B5N12OS
• Molecular Weight: 2482.01 g/mol
• Exact Mass: 2480.90
• IUPAC Name: 3,3-dimethyl-22-phenyl-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;3,22-diphenyl-3,11,22-triaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-3-oxa-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-3-thia-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;10-phenyl-8,10,25-triaza-18-boradecacyclo[30.3.1.02,7.08,35.09,17.011,16.018,34.019,24.025,33.026,31]hexatriaconta-1(35),2,4,6,9(17),11,13,15,19,21,23,26,28,30,32(36),33-hexadecaene
• SMILES: CC1(C)C2=C(c3ccccc31)n1c3ccccc3c3ccc4c(c31)B2c1ccccc1N4c1ccccc1.c1ccc(-n2c3c(c4ccccc42)B2c4ccccc4-n4c5ccccc5c5cc6c7ccccc7n-3c6c2c54)cc1.c1ccc(N2c3ccccc3B3c4c2ccc2c5ccccc5n(c42)-c2c3n(-c3ccccc3)c3ccccc23)cc1.c1ccc(N2c3ccccc3B3c4oc5ccccc5c4-n4c5ccccc5c5ccc2c3c54)cc1.c1ccc(N2c3ccccc3B3c4sc5ccccc5c4-n4c5ccccc5c5ccc2c3c54)cc1
• InChI: InChI=1S/C38H22BN3.C38H24BN3.C35H25BN2.C32H19BN2O.C32H19BN2S/c1-2-12-23(13-3-1)40-32-20-10-6-16-26(32)34-38(40)42-31-19-9-5-15-25(31)28-22-27-24-14-4-8-18-30(24)41-33-21-11-7-17-29(33)39(34)35(36(27)41)37(28)42;1-3-13-25(14-4-1)40-33-22-12-9-19-30(33)39-35-34(40)24-23-28-27-17-7-10-20-31(27)42(36(28)35)37-29-18-8-11-21-32(29)41(38(37)39)26-15-5-2-6-16-26;1-35(2)26-16-8-6-15-25(26)33-34(35)36-27-17-9-11-19-29(27)37(22-12-4-3-5-13-22)30-21-20-24-23-14-7-10-18-28(23)38(33)32(24)31(30)36;2*1-2-10-20(11-3-1)34-26-16-8-6-14-24(26)33-29-27(34)19-18-22-21-12-4-7-15-25(21)35(30(22)29)31-23-13-5-9-17-28(23)36-32(31)33/h1-22H;1-24H;3-21H,1-2H3;2*1-19H
• InChIKey: FJVKAQUIHGAUEF-UHFFFAOYSA-N
• XLogP: 34.35
• TPSA: 65.54 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2482.01
LogP ≤ 5	34.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-22-phenyl-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;3,22-diphenyl-3,11,22-triaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-3-oxa-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-3-thia-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;10-phenyl-8,10,25-triaza-18-boradecacyclo[30.3.1.02,7.08,35.09,17.011,16.018,34.019,24.025,33.026,31]hexatriaconta-1(35),2,4,6,9(17),11,13,15,19,21,23,26,28,30,32(36),33-hexadecaene?

The IUPAC name of 3,3-dimethyl-22-phenyl-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;3,22-diphenyl-3,11,22-triaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-3-oxa-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-3-thia-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;10-phenyl-8,10,25-triaza-18-boradecacyclo[30.3.1.02,7.08,35.09,17.011,16.018,34.019,24.025,33.026,31]hexatriaconta-1(35),2,4,6,9(17),11,13,15,19,21,23,26,28,30,32(36),33-hexadecaene (CID 158054130) is 3,3-dimethyl-22-phenyl-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;3,22-diphenyl-3,11,22-triaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-3-oxa-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-3-thia-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;10-phenyl-8,10,25-triaza-18-boradecacyclo[30.3.1.02,7.08,35.09,17.011,16.018,34.019,24.025,33.026,31]hexatriaconta-1(35),2,4,6,9(17),11,13,15,19,21,23,26,28,30,32(36),33-hexadecaene.

What is the SMILES notation for 3,3-dimethyl-22-phenyl-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;3,22-diphenyl-3,11,22-triaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-3-oxa-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-3-thia-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;10-phenyl-8,10,25-triaza-18-boradecacyclo[30.3.1.02,7.08,35.09,17.011,16.018,34.019,24.025,33.026,31]hexatriaconta-1(35),2,4,6,9(17),11,13,15,19,21,23,26,28,30,32(36),33-hexadecaene?

The canonical SMILES for 3,3-dimethyl-22-phenyl-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;3,22-diphenyl-3,11,22-triaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-3-oxa-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-3-thia-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;10-phenyl-8,10,25-triaza-18-boradecacyclo[30.3.1.02,7.08,35.09,17.011,16.018,34.019,24.025,33.026,31]hexatriaconta-1(35),2,4,6,9(17),11,13,15,19,21,23,26,28,30,32(36),33-hexadecaene is CC1(C)C2=C(c3ccccc31)n1c3ccccc3c3ccc4c(c31)B2c1ccccc1N4c1ccccc1.c1ccc(-n2c3c(c4ccccc42)B2c4ccccc4-n4c5ccccc5c5cc6c7ccccc7n-3c6c2c54)cc1.c1ccc(N2c3ccccc3B3c4c2ccc2c5ccccc5n(c42)-c2c3n(-c3ccccc3)c3ccccc23)cc1.c1ccc(N2c3ccccc3B3c4oc5ccccc5c4-n4c5ccccc5c5ccc2c3c54)cc1.c1ccc(N2c3ccccc3B3c4sc5ccccc5c4-n4c5ccccc5c5ccc2c3c54)cc1.

What is the InChIKey of 3,3-dimethyl-22-phenyl-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;3,22-diphenyl-3,11,22-triaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-3-oxa-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-3-thia-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;10-phenyl-8,10,25-triaza-18-boradecacyclo[30.3.1.02,7.08,35.09,17.011,16.018,34.019,24.025,33.026,31]hexatriaconta-1(35),2,4,6,9(17),11,13,15,19,21,23,26,28,30,32(36),33-hexadecaene?

The InChIKey is FJVKAQUIHGAUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22BN3.C38H24BN3.C35H25BN2.C32H19BN2O.C32H19BN2S/c1-2-12-23(13-3-1)40-32-20-10-6-16-26(32)34-38(40)42-31-19-9-5-15-25(31)28-22-27-24-14-4-8-18-30(24)41-33-21-11-7-17-29(33)39(34)35(36(27)41)37(28)42;1-3-13-25(14-4-1)40-33-22-12-9-19-30(33)39-35-34(40)24-23-28-27-17-7-10-20-31(27)42(36(28)35)37-29-18-8-11-21-32(29)41(38(37)39)26-15-5-2-6-16-26;1-35(2)26-16-8-6-15-25(26)33-34(35)36-27-17-9-11-19-29(27)37(22-12-4-3-5-13-22)30-21-20-24-23-14-7-10-18-28(23)38(33)32(24)31(30)36;2*1-2-10-20(11-3-1)34-26-16-8-6-14-24(26)33-29-27(34)19-18-22-21-12-4-7-15-25(21)35(30(22)29)31-23-13-5-9-17-28(23)36-32(31)33/h1-22H;1-24H;3-21H,1-2H3;2*1-19H.

What are the key properties of 3,3-dimethyl-22-phenyl-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;3,22-diphenyl-3,11,22-triaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-3-oxa-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-3-thia-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;10-phenyl-8,10,25-triaza-18-boradecacyclo[30.3.1.02,7.08,35.09,17.011,16.018,34.019,24.025,33.026,31]hexatriaconta-1(35),2,4,6,9(17),11,13,15,19,21,23,26,28,30,32(36),33-hexadecaene?

3,3-dimethyl-22-phenyl-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;3,22-diphenyl-3,11,22-triaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-3-oxa-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-3-thia-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;10-phenyl-8,10,25-triaza-18-boradecacyclo[30.3.1.02,7.08,35.09,17.011,16.018,34.019,24.025,33.026,31]hexatriaconta-1(35),2,4,6,9(17),11,13,15,19,21,23,26,28,30,32(36),33-hexadecaene has a molecular weight of 2482.01 g/mol, XLogP of 34.35, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-dimethyl-22-phenyl-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;3,22-diphenyl-3,11,22-triaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-3-oxa-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-3-thia-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.04,9.011,30.012,17.021,29.023,28]triaconta-2(10),4,6,8,12,14,16,18(30),19,21(29),23,25,27-tridecaene;10-phenyl-8,10,25-triaza-18-boradecacyclo[30.3.1.02,7.08,35.09,17.011,16.018,34.019,24.025,33.026,31]hexatriaconta-1(35),2,4,6,9(17),11,13,15,19,21,23,26,28,30,32(36),33-hexadecaene is sourced from PubChem (CID 158054130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).