5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24(35),25,27,29,31,33-hexadecaene;5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17(28),18,20,22,24,26-tridecaene;5,37-diazoniaundecacyclo[22.13.1.01,5.02,22.03,19.04,12.06,11.013,18.028,38.029,37.031,36]octatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24(38),25,27,29(37),31,33,35-heptadecaene;ethane

C125H148N6+6 — CID 160951107

About 5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24(35),25,27,29,31,33-hexadecaene;5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17(28),18,20,22,24,26-tridecaene;5,37-diazoniaundecacyclo[22.13.1.01,5.02,22.03,19.04,12.06,11.013,18.028,38.029,37.031,36]octatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24(38),25,27,29(37),31,33,35-heptadecaene;ethane

5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24(35),25,27,29,31,33-hexadecaene;5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17(28),18,20,22,24,26-tridecaene;5,37-diazoniaundecacyclo[22.13.1.01,5.02,22.03,19.04,12.06,11.013,18.028,38.029,37.031,36]octatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24(38),25,27,29(37),31,33,35-heptadecaene;ethane (PubChem CID 160951107) has the molecular formula C125H148N6+6 and a molecular weight of 1734.60 g/mol. Its IUPAC name is 5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24(35),25,27,29,31,33-hexadecaene;5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17(28),18,20,22,24,26-tridecaene;5,37-diazoniaundecacyclo[22.13.1.01,5.02,22.03,19.04,12.06,11.013,18.028,38.029,37.031,36]octatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24(38),25,27,29(37),31,33,35-heptadecaene;ethane.

Molecular Properties

• Compound Name: 5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24(35),25,27,29,31,33-hexadecaene;5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17(28),18,20,22,24,26-tridecaene;5,37-diazoniaundecacyclo[22.13.1.01,5.02,22.03,19.04,12.06,11.013,18.028,38.029,37.031,36]octatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24(38),25,27,29(37),31,33,35-heptadecaene;ethane
• PubChem CID: 160951107
• Molecular Formula: C125H148N6+6
• Molecular Weight: 1734.60 g/mol
• Exact Mass: 1733.17
• IUPAC Name: 5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24(35),25,27,29,31,33-hexadecaene;5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17(28),18,20,22,24,26-tridecaene;5,37-diazoniaundecacyclo[22.13.1.01,5.02,22.03,19.04,12.06,11.013,18.028,38.029,37.031,36]octatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24(38),25,27,29(37),31,33,35-heptadecaene;ethane
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4ccc5ccc[n+]1c5c34)C2.c1ccc2c(c1)-c1ccc3c4c1C1=[N+](c5ccccc5C12)C41c2c(cccc2-c2cccc[n+]21)C3.c1ccc2c(c1)CC1=[N+]2C23c4c(cccc41)Cc1ccc4c(c12)C1=[N+]3c2ccccc2C1c1ccccc1-4
• InChI: InChI=1S/C36H22N2.C33H20N2.C26H16N2.15C2H6/c1-5-14-28-20(8-1)19-30-27-13-7-9-21-18-22-16-17-25-23-10-2-3-11-24(23)31-26-12-4-6-15-29(26)38-35(31)32(25)34(22)36(38,33(21)27)37(28)30;1-2-10-22-21(9-1)23-16-15-20-18-19-8-7-12-25-26-13-5-6-17-34(26)33(30(19)25)31(20)29(23)32-28(22)24-11-3-4-14-27(24)35(32)33;1-2-13-27-21(8-1)20-7-3-5-18-15-19-12-10-16-9-11-17-6-4-14-28-25(17)22(16)24(19)26(27,28)23(18)20;15*1-2/h1-17,31H,18-19H2;1-17,28H,18H2;1-14H,15H2;15*1-2H3/q3*+2
• InChIKey: FNYDFSKLGAHPBD-UHFFFAOYSA-N
• XLogP: 32.11
• TPSA: 20.67 Ų
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1734.60
LogP ≤ 5	32.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24(35),25,27,29,31,33-hexadecaene;5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17(28),18,20,22,24,26-tridecaene;5,37-diazoniaundecacyclo[22.13.1.01,5.02,22.03,19.04,12.06,11.013,18.028,38.029,37.031,36]octatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24(38),25,27,29(37),31,33,35-heptadecaene;ethane?

The IUPAC name of 5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24(35),25,27,29,31,33-hexadecaene;5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17(28),18,20,22,24,26-tridecaene;5,37-diazoniaundecacyclo[22.13.1.01,5.02,22.03,19.04,12.06,11.013,18.028,38.029,37.031,36]octatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24(38),25,27,29(37),31,33,35-heptadecaene;ethane (CID 160951107) is 5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24(35),25,27,29,31,33-hexadecaene;5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17(28),18,20,22,24,26-tridecaene;5,37-diazoniaundecacyclo[22.13.1.01,5.02,22.03,19.04,12.06,11.013,18.028,38.029,37.031,36]octatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24(38),25,27,29(37),31,33,35-heptadecaene;ethane.

What is the SMILES notation for 5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24(35),25,27,29,31,33-hexadecaene;5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17(28),18,20,22,24,26-tridecaene;5,37-diazoniaundecacyclo[22.13.1.01,5.02,22.03,19.04,12.06,11.013,18.028,38.029,37.031,36]octatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24(38),25,27,29(37),31,33,35-heptadecaene;ethane?

The canonical SMILES for 5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24(35),25,27,29,31,33-hexadecaene;5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17(28),18,20,22,24,26-tridecaene;5,37-diazoniaundecacyclo[22.13.1.01,5.02,22.03,19.04,12.06,11.013,18.028,38.029,37.031,36]octatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24(38),25,27,29(37),31,33,35-heptadecaene;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4ccc5ccc[n+]1c5c34)C2.c1ccc2c(c1)-c1ccc3c4c1C1=[N+](c5ccccc5C12)C41c2c(cccc2-c2cccc[n+]21)C3.c1ccc2c(c1)CC1=[N+]2C23c4c(cccc41)Cc1ccc4c(c12)C1=[N+]3c2ccccc2C1c1ccccc1-4.

What is the InChIKey of 5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24(35),25,27,29,31,33-hexadecaene;5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17(28),18,20,22,24,26-tridecaene;5,37-diazoniaundecacyclo[22.13.1.01,5.02,22.03,19.04,12.06,11.013,18.028,38.029,37.031,36]octatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24(38),25,27,29(37),31,33,35-heptadecaene;ethane?

The InChIKey is FNYDFSKLGAHPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2.C33H20N2.C26H16N2.15C2H6/c1-5-14-28-20(8-1)19-30-27-13-7-9-21-18-22-16-17-25-23-10-2-3-11-24(23)31-26-12-4-6-15-29(26)38-35(31)32(25)34(22)36(38,33(21)27)37(28)30;1-2-10-22-21(9-1)23-16-15-20-18-19-8-7-12-25-26-13-5-6-17-34(26)33(30(19)25)31(20)29(23)32-28(22)24-11-3-4-14-27(24)35(32)33;1-2-13-27-21(8-1)20-7-3-5-18-15-19-12-10-16-9-11-17-6-4-14-28-25(17)22(16)24(19)26(27,28)23(18)20;15*1-2/h1-17,31H,18-19H2;1-17,28H,18H2;1-14H,15H2;15*1-2H3/q3*+2;;;;;;;;;;;;;;;.

What are the key properties of 5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24(35),25,27,29,31,33-hexadecaene;5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17(28),18,20,22,24,26-tridecaene;5,37-diazoniaundecacyclo[22.13.1.01,5.02,22.03,19.04,12.06,11.013,18.028,38.029,37.031,36]octatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24(38),25,27,29(37),31,33,35-heptadecaene;ethane?

5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24(35),25,27,29,31,33-hexadecaene;5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17(28),18,20,22,24,26-tridecaene;5,37-diazoniaundecacyclo[22.13.1.01,5.02,22.03,19.04,12.06,11.013,18.028,38.029,37.031,36]octatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24(38),25,27,29(37),31,33,35-heptadecaene;ethane has a molecular weight of 1734.60 g/mol, XLogP of 32.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24(35),25,27,29,31,33-hexadecaene;5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17(28),18,20,22,24,26-tridecaene;5,37-diazoniaundecacyclo[22.13.1.01,5.02,22.03,19.04,12.06,11.013,18.028,38.029,37.031,36]octatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24(38),25,27,29(37),31,33,35-heptadecaene;ethane is sourced from PubChem (CID 160951107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).