37,42-bis(1-adamantyl)-27,27-dimethyl-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene;27,27-dimethyl-37,42-bis(1-phenylethyl)-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene;27,27-dimethyl-37,42-di(propan-2-yl)-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene

C174H137N15+6 — CID 157054825

About 37,42-bis(1-adamantyl)-27,27-dimethyl-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene;27,27-dimethyl-37,42-bis(1-phenylethyl)-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene;27,27-dimethyl-37,42-di(propan-2-yl)-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene

37,42-bis(1-adamantyl)-27,27-dimethyl-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene;27,27-dimethyl-37,42-bis(1-phenylethyl)-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene;27,27-dimethyl-37,42-di(propan-2-yl)-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene (PubChem CID 157054825) has the molecular formula C174H137N15+6 and a molecular weight of 2438.11 g/mol. Its IUPAC name is 37,42-bis(1-adamantyl)-27,27-dimethyl-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene;27,27-dimethyl-37,42-bis(1-phenylethyl)-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene;27,27-dimethyl-37,42-di(propan-2-yl)-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene.

Molecular Properties

• Compound Name: 37,42-bis(1-adamantyl)-27,27-dimethyl-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene;27,27-dimethyl-37,42-bis(1-phenylethyl)-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene;27,27-dimethyl-37,42-di(propan-2-yl)-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene
• PubChem CID: 157054825
• Molecular Formula: C174H137N15+6
• Molecular Weight: 2438.11 g/mol
• Exact Mass: 2436.11
• IUPAC Name: 37,42-bis(1-adamantyl)-27,27-dimethyl-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene;27,27-dimethyl-37,42-bis(1-phenylethyl)-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene;27,27-dimethyl-37,42-di(propan-2-yl)-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene
• SMILES: CC(C)c1cc2[n+]3c(c1)N1c4ccccc4C(C)(C)c4cc5c6ccccc6n6c5c(c41)C31c3c-6ccc4c5ccccc5n(c34)-c3cc(C(C)C)cc-2[n+]31.CC(c1ccccc1)c1cc2[n+]3c(c1)N1c4ccccc4C(C)(C)c4cc5c6ccccc6n6c5c(c41)C31c3c-6ccc4c5ccccc5n(c34)-c3cc(C(C)c4ccccc4)cc-2[n+]31.CC1(C)c2ccccc2N2c3c1cc1c4ccccc4n4c1c3C13c5c-4ccc4c6ccccc6n(c54)-c4cc(C56CC7CC(CC(C7)C5)C6)cc([n+]41)-c1cc(C45CC6CC(CC(C6)C4)C5)cc2[n+]13
• InChI: InChI=1S/C64H55N5.C60H43N5.C50H39N5/c1-61(2)46-11-5-8-14-50(46)67-55-26-41(63-31-37-20-38(32-63)22-39(21-37)33-63)24-53-52-23-40(62-28-34-17-35(29-62)19-36(18-34)30-62)25-54-66-49-13-7-3-9-42(49)44-15-16-51-56(58(44)66)64(68(52)54,69(53)55)57-59-45(27-47(61)60(57)67)43-10-4-6-12-48(43)65(51)59;1-34(36-17-7-5-8-18-36)38-29-50-51-30-39(35(2)37-19-9-6-10-20-37)32-53-63-48-26-16-13-23-44(48)59(3,4)45-33-43-41-22-12-14-24-46(41)61-49-28-27-42-40-21-11-15-25-47(40)62-52(31-38)64(50)60(65(51)53,54(49)56(42)62)55(57(43)61)58(45)63;1-26(2)28-21-40-41-22-29(27(3)4)24-43-53-38-18-12-9-15-34(38)49(5,6)35-25-33-31-14-8-10-16-36(31)51-39-20-19-32-30-13-7-11-17-37(30)52-42(23-28)54(40)50(55(41)43,44(39)46(32)52)45(47(33)51)48(35)53/h3-16,23-27,34-39H,17-22,28-33H2,1-2H3;5-35H,1-4H3;7-27H,1-6H3/q3*+2
• InChIKey: GHBHJBJCWVXTGL-UHFFFAOYSA-N
• XLogP: 37.84
• TPSA: 62.58 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2438.11
LogP ≤ 5	37.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 37,42-bis(1-adamantyl)-27,27-dimethyl-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene;27,27-dimethyl-37,42-bis(1-phenylethyl)-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene;27,27-dimethyl-37,42-di(propan-2-yl)-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene?

The IUPAC name of 37,42-bis(1-adamantyl)-27,27-dimethyl-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene;27,27-dimethyl-37,42-bis(1-phenylethyl)-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene;27,27-dimethyl-37,42-di(propan-2-yl)-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene (CID 157054825) is 37,42-bis(1-adamantyl)-27,27-dimethyl-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene;27,27-dimethyl-37,42-bis(1-phenylethyl)-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene;27,27-dimethyl-37,42-di(propan-2-yl)-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene.

What is the SMILES notation for 37,42-bis(1-adamantyl)-27,27-dimethyl-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene;27,27-dimethyl-37,42-bis(1-phenylethyl)-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene;27,27-dimethyl-37,42-di(propan-2-yl)-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene?

The canonical SMILES for 37,42-bis(1-adamantyl)-27,27-dimethyl-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene;27,27-dimethyl-37,42-bis(1-phenylethyl)-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene;27,27-dimethyl-37,42-di(propan-2-yl)-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene is CC(C)c1cc2[n+]3c(c1)N1c4ccccc4C(C)(C)c4cc5c6ccccc6n6c5c(c41)C31c3c-6ccc4c5ccccc5n(c34)-c3cc(C(C)C)cc-2[n+]31.CC(c1ccccc1)c1cc2[n+]3c(c1)N1c4ccccc4C(C)(C)c4cc5c6ccccc6n6c5c(c41)C31c3c-6ccc4c5ccccc5n(c34)-c3cc(C(C)c4ccccc4)cc-2[n+]31.CC1(C)c2ccccc2N2c3c1cc1c4ccccc4n4c1c3C13c5c-4ccc4c6ccccc6n(c54)-c4cc(C56CC7CC(CC(C7)C5)C6)cc([n+]41)-c1cc(C45CC6CC(CC(C6)C4)C5)cc2[n+]13.

What is the InChIKey of 37,42-bis(1-adamantyl)-27,27-dimethyl-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene;27,27-dimethyl-37,42-bis(1-phenylethyl)-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene;27,27-dimethyl-37,42-di(propan-2-yl)-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene?

The InChIKey is GHBHJBJCWVXTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H55N5.C60H43N5.C50H39N5/c1-61(2)46-11-5-8-14-50(46)67-55-26-41(63-31-37-20-38(32-63)22-39(21-37)33-63)24-53-52-23-40(62-28-34-17-35(29-62)19-36(18-34)30-62)25-54-66-49-13-7-3-9-42(49)44-15-16-51-56(58(44)66)64(68(52)54,69(53)55)57-59-45(27-47(61)60(57)67)43-10-4-6-12-48(43)65(51)59;1-34(36-17-7-5-8-18-36)38-29-50-51-30-39(35(2)37-19-9-6-10-20-37)32-53-63-48-26-16-13-23-44(48)59(3,4)45-33-43-41-22-12-14-24-46(41)61-49-28-27-42-40-21-11-15-25-47(40)62-52(31-38)64(50)60(65(51)53,54(49)56(42)62)55(57(43)61)58(45)63;1-26(2)28-21-40-41-22-29(27(3)4)24-43-53-38-18-12-9-15-34(38)49(5,6)35-25-33-31-14-8-10-16-36(31)51-39-20-19-32-30-13-7-11-17-37(30)52-42(23-28)54(40)50(55(41)43,44(39)46(32)52)45(47(33)51)48(35)53/h3-16,23-27,34-39H,17-22,28-33H2,1-2H3;5-35H,1-4H3;7-27H,1-6H3/q3*+2.

What are the key properties of 37,42-bis(1-adamantyl)-27,27-dimethyl-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene;27,27-dimethyl-37,42-bis(1-phenylethyl)-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene;27,27-dimethyl-37,42-di(propan-2-yl)-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene?

37,42-bis(1-adamantyl)-27,27-dimethyl-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene;27,27-dimethyl-37,42-bis(1-phenylethyl)-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene;27,27-dimethyl-37,42-di(propan-2-yl)-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene has a molecular weight of 2438.11 g/mol, XLogP of 37.84, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 37,42-bis(1-adamantyl)-27,27-dimethyl-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene;27,27-dimethyl-37,42-bis(1-phenylethyl)-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene;27,27-dimethyl-37,42-di(propan-2-yl)-4,15,34-triaza-45,46-diazoniatetradecacyclo[33.10.1.122,26.01,24.02,14.03,11.04,44.05,10.015,23.016,21.025,34.028,33.039,46.040,45]heptatetraconta-2(14),3(11),5,7,9,12,16,18,20,22(47),23,25,28,30,32,35,37,39(46),40(45),41,43-henicosaene is sourced from PubChem (CID 157054825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).