5,10,32,37-tetrazaheptadecacyclo[30.22.1.15,24.110,17.137,44.02,31.04,29.06,23.09,22.011,16.033,50.036,49.038,43.051,55.021,58.028,57.048,56]octapentaconta-1(55),2,4(29),6(23),7,9(22),13,15,17,19,21(58),24,26,28(57),30,35,38,40,42,44(56),45,47,49,51,53-pentacosaene

C54H30N4 — CID 146666035

About 5,10,32,37-tetrazaheptadecacyclo[30.22.1.15,24.110,17.137,44.02,31.04,29.06,23.09,22.011,16.033,50.036,49.038,43.051,55.021,58.028,57.048,56]octapentaconta-1(55),2,4(29),6(23),7,9(22),13,15,17,19,21(58),24,26,28(57),30,35,38,40,42,44(56),45,47,49,51,53-pentacosaene

5,10,32,37-tetrazaheptadecacyclo[30.22.1.15,24.110,17.137,44.02,31.04,29.06,23.09,22.011,16.033,50.036,49.038,43.051,55.021,58.028,57.048,56]octapentaconta-1(55),2,4(29),6(23),7,9(22),13,15,17,19,21(58),24,26,28(57),30,35,38,40,42,44(56),45,47,49,51,53-pentacosaene (PubChem CID 146666035) has the molecular formula C54H30N4 and a molecular weight of 734.86 g/mol. Its IUPAC name is 5,10,32,37-tetrazaheptadecacyclo[30.22.1.15,24.110,17.137,44.02,31.04,29.06,23.09,22.011,16.033,50.036,49.038,43.051,55.021,58.028,57.048,56]octapentaconta-1(55),2,4(29),6(23),7,9(22),13,15,17,19,21(58),24,26,28(57),30,35,38,40,42,44(56),45,47,49,51,53-pentacosaene.

Molecular Properties

• Compound Name: 5,10,32,37-tetrazaheptadecacyclo[30.22.1.15,24.110,17.137,44.02,31.04,29.06,23.09,22.011,16.033,50.036,49.038,43.051,55.021,58.028,57.048,56]octapentaconta-1(55),2,4(29),6(23),7,9(22),13,15,17,19,21(58),24,26,28(57),30,35,38,40,42,44(56),45,47,49,51,53-pentacosaene
• PubChem CID: 146666035
• Molecular Formula: C54H30N4
• Molecular Weight: 734.86 g/mol
• Exact Mass: 734.25
• IUPAC Name: 5,10,32,37-tetrazaheptadecacyclo[30.22.1.15,24.110,17.137,44.02,31.04,29.06,23.09,22.011,16.033,50.036,49.038,43.051,55.021,58.028,57.048,56]octapentaconta-1(55),2,4(29),6(23),7,9(22),13,15,17,19,21(58),24,26,28(57),30,35,38,40,42,44(56),45,47,49,51,53-pentacosaene
• SMILES: C1=CCC2C(=C1)c1cccc3c4c5c6cccc7c8cc9c(cc8n(c5ccc4n2c13)c76)c1cccc2c1n9C1CC=c3c(c4cccc5c6ccccc6n3c45)=C21
• InChI: InChI=1S/C54H30N4/c1-3-19-39-27(9-1)29-11-5-15-33-47-41(55(39)51(29)33)21-23-43-49(47)35-17-7-13-31-37-26-46-38(25-45(37)57(43)53(31)35)32-14-8-18-36-50-44(58(46)54(32)36)24-22-42-48(50)34-16-6-12-30-28-10-2-4-20-40(28)56(42)52(30)34/h1-19,21-22,24-26,40,43H,20,23H2
• InChIKey: REAKAQDEZGDJJX-UHFFFAOYSA-N
• XLogP: 11.89
• TPSA: 18.68 Ų
• H-Bond Acceptors: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	734.86
LogP ≤ 5	11.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5,10,32,37-tetrazaheptadecacyclo[30.22.1.15,24.110,17.137,44.02,31.04,29.06,23.09,22.011,16.033,50.036,49.038,43.051,55.021,58.028,57.048,56]octapentaconta-1(55),2,4(29),6(23),7,9(22),13,15,17,19,21(58),24,26,28(57),30,35,38,40,42,44(56),45,47,49,51,53-pentacosaene?

The IUPAC name of 5,10,32,37-tetrazaheptadecacyclo[30.22.1.15,24.110,17.137,44.02,31.04,29.06,23.09,22.011,16.033,50.036,49.038,43.051,55.021,58.028,57.048,56]octapentaconta-1(55),2,4(29),6(23),7,9(22),13,15,17,19,21(58),24,26,28(57),30,35,38,40,42,44(56),45,47,49,51,53-pentacosaene (CID 146666035) is 5,10,32,37-tetrazaheptadecacyclo[30.22.1.15,24.110,17.137,44.02,31.04,29.06,23.09,22.011,16.033,50.036,49.038,43.051,55.021,58.028,57.048,56]octapentaconta-1(55),2,4(29),6(23),7,9(22),13,15,17,19,21(58),24,26,28(57),30,35,38,40,42,44(56),45,47,49,51,53-pentacosaene.

What is the SMILES notation for 5,10,32,37-tetrazaheptadecacyclo[30.22.1.15,24.110,17.137,44.02,31.04,29.06,23.09,22.011,16.033,50.036,49.038,43.051,55.021,58.028,57.048,56]octapentaconta-1(55),2,4(29),6(23),7,9(22),13,15,17,19,21(58),24,26,28(57),30,35,38,40,42,44(56),45,47,49,51,53-pentacosaene?

The canonical SMILES for 5,10,32,37-tetrazaheptadecacyclo[30.22.1.15,24.110,17.137,44.02,31.04,29.06,23.09,22.011,16.033,50.036,49.038,43.051,55.021,58.028,57.048,56]octapentaconta-1(55),2,4(29),6(23),7,9(22),13,15,17,19,21(58),24,26,28(57),30,35,38,40,42,44(56),45,47,49,51,53-pentacosaene is C1=CCC2C(=C1)c1cccc3c4c5c6cccc7c8cc9c(cc8n(c5ccc4n2c13)c76)c1cccc2c1n9C1CC=c3c(c4cccc5c6ccccc6n3c45)=C21.

What is the InChIKey of 5,10,32,37-tetrazaheptadecacyclo[30.22.1.15,24.110,17.137,44.02,31.04,29.06,23.09,22.011,16.033,50.036,49.038,43.051,55.021,58.028,57.048,56]octapentaconta-1(55),2,4(29),6(23),7,9(22),13,15,17,19,21(58),24,26,28(57),30,35,38,40,42,44(56),45,47,49,51,53-pentacosaene?

The InChIKey is REAKAQDEZGDJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H30N4/c1-3-19-39-27(9-1)29-11-5-15-33-47-41(55(39)51(29)33)21-23-43-49(47)35-17-7-13-31-37-26-46-38(25-45(37)57(43)53(31)35)32-14-8-18-36-50-44(58(46)54(32)36)24-22-42-48(50)34-16-6-12-30-28-10-2-4-20-40(28)56(42)52(30)34/h1-19,21-22,24-26,40,43H,20,23H2.

What are the key properties of 5,10,32,37-tetrazaheptadecacyclo[30.22.1.15,24.110,17.137,44.02,31.04,29.06,23.09,22.011,16.033,50.036,49.038,43.051,55.021,58.028,57.048,56]octapentaconta-1(55),2,4(29),6(23),7,9(22),13,15,17,19,21(58),24,26,28(57),30,35,38,40,42,44(56),45,47,49,51,53-pentacosaene?

5,10,32,37-tetrazaheptadecacyclo[30.22.1.15,24.110,17.137,44.02,31.04,29.06,23.09,22.011,16.033,50.036,49.038,43.051,55.021,58.028,57.048,56]octapentaconta-1(55),2,4(29),6(23),7,9(22),13,15,17,19,21(58),24,26,28(57),30,35,38,40,42,44(56),45,47,49,51,53-pentacosaene has a molecular weight of 734.86 g/mol, XLogP of 11.89, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5,10,32,37-tetrazaheptadecacyclo[30.22.1.15,24.110,17.137,44.02,31.04,29.06,23.09,22.011,16.033,50.036,49.038,43.051,55.021,58.028,57.048,56]octapentaconta-1(55),2,4(29),6(23),7,9(22),13,15,17,19,21(58),24,26,28(57),30,35,38,40,42,44(56),45,47,49,51,53-pentacosaene is sourced from PubChem (CID 146666035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).