2-(5,17,33-tripyridin-2-yl-26-undecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetraconta-1(37),2,4(18),5,7,9,11(40),12,14,16,19,21(38),22,24(39),25,27,29,31,33,35-icosaenyl)pyridine

C60H32N4 — CID 89470958

About 2-(5,17,33-tripyridin-2-yl-26-undecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetraconta-1(37),2,4(18),5,7,9,11(40),12,14,16,19,21(38),22,24(39),25,27,29,31,33,35-icosaenyl)pyridine

2-(5,17,33-tripyridin-2-yl-26-undecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetraconta-1(37),2,4(18),5,7,9,11(40),12,14,16,19,21(38),22,24(39),25,27,29,31,33,35-icosaenyl)pyridine (PubChem CID 89470958) has the molecular formula C60H32N4 and a molecular weight of 808.94 g/mol. Its IUPAC name is 2-(5,17,33-tripyridin-2-yl-26-undecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetraconta-1(37),2,4(18),5,7,9,11(40),12,14,16,19,21(38),22,24(39),25,27,29,31,33,35-icosaenyl)pyridine.

Molecular Properties

• Compound Name: 2-(5,17,33-tripyridin-2-yl-26-undecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetraconta-1(37),2,4(18),5,7,9,11(40),12,14,16,19,21(38),22,24(39),25,27,29,31,33,35-icosaenyl)pyridine
• PubChem CID: 89470958
• Molecular Formula: C60H32N4
• Molecular Weight: 808.94 g/mol
• Exact Mass: 808.26
• IUPAC Name: 2-(5,17,33-tripyridin-2-yl-26-undecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetraconta-1(37),2,4(18),5,7,9,11(40),12,14,16,19,21(38),22,24(39),25,27,29,31,33,35-icosaenyl)pyridine
• SMILES: c1ccc(-c2c3c(c(-c4ccccn4)c4ccccc24)-c2ccc4c5cc6c(-c7ccccn7)c7c8cccc9cccc(c7c(-c7ccccn7)c6cc5c5ccc-3c2c54)c98)nc1
• InChI: InChI=1S/C60H32N4/c1-2-16-35-34(15-1)53(46-19-3-7-27-61-46)59-40-25-23-36-42-31-44-45(32-43(42)37-24-26-41(52(40)51(36)37)60(59)54(35)47-20-4-8-28-62-47)56(49-22-6-10-30-64-49)58-39-18-12-14-33-13-11-17-38(50(33)39)57(58)55(44)48-21-5-9-29-63-48/h1-32H
• InChIKey: KVUWAWKLRMHYIV-UHFFFAOYSA-N
• XLogP: 15.68
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	808.94
LogP ≤ 5	15.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(5,17,33-tripyridin-2-yl-26-undecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetraconta-1(37),2,4(18),5,7,9,11(40),12,14,16,19,21(38),22,24(39),25,27,29,31,33,35-icosaenyl)pyridine?

The IUPAC name of 2-(5,17,33-tripyridin-2-yl-26-undecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetraconta-1(37),2,4(18),5,7,9,11(40),12,14,16,19,21(38),22,24(39),25,27,29,31,33,35-icosaenyl)pyridine (CID 89470958) is 2-(5,17,33-tripyridin-2-yl-26-undecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetraconta-1(37),2,4(18),5,7,9,11(40),12,14,16,19,21(38),22,24(39),25,27,29,31,33,35-icosaenyl)pyridine.

What is the SMILES notation for 2-(5,17,33-tripyridin-2-yl-26-undecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetraconta-1(37),2,4(18),5,7,9,11(40),12,14,16,19,21(38),22,24(39),25,27,29,31,33,35-icosaenyl)pyridine?

The canonical SMILES for 2-(5,17,33-tripyridin-2-yl-26-undecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetraconta-1(37),2,4(18),5,7,9,11(40),12,14,16,19,21(38),22,24(39),25,27,29,31,33,35-icosaenyl)pyridine is c1ccc(-c2c3c(c(-c4ccccn4)c4ccccc24)-c2ccc4c5cc6c(-c7ccccn7)c7c8cccc9cccc(c7c(-c7ccccn7)c6cc5c5ccc-3c2c54)c98)nc1.

What is the InChIKey of 2-(5,17,33-tripyridin-2-yl-26-undecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetraconta-1(37),2,4(18),5,7,9,11(40),12,14,16,19,21(38),22,24(39),25,27,29,31,33,35-icosaenyl)pyridine?

The InChIKey is KVUWAWKLRMHYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H32N4/c1-2-16-35-34(15-1)53(46-19-3-7-27-61-46)59-40-25-23-36-42-31-44-45(32-43(42)37-24-26-41(52(40)51(36)37)60(59)54(35)47-20-4-8-28-62-47)56(49-22-6-10-30-64-49)58-39-18-12-14-33-13-11-17-38(50(33)39)57(58)55(44)48-21-5-9-29-63-48/h1-32H.

What are the key properties of 2-(5,17,33-tripyridin-2-yl-26-undecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetraconta-1(37),2,4(18),5,7,9,11(40),12,14,16,19,21(38),22,24(39),25,27,29,31,33,35-icosaenyl)pyridine?

2-(5,17,33-tripyridin-2-yl-26-undecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetraconta-1(37),2,4(18),5,7,9,11(40),12,14,16,19,21(38),22,24(39),25,27,29,31,33,35-icosaenyl)pyridine has a molecular weight of 808.94 g/mol, XLogP of 15.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5,17,33-tripyridin-2-yl-26-undecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetraconta-1(37),2,4(18),5,7,9,11(40),12,14,16,19,21(38),22,24(39),25,27,29,31,33,35-icosaenyl)pyridine is sourced from PubChem (CID 89470958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).