3-(12-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11,13,15(30),17,19,21,23,25(29),26-pentadecaenyl)pyridine;3-(13-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaenyl)pyridine;3-(26-pyridin-3-yl-12-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2(16),3,5,7,9,11,13,15(30),17,19,21,23,25,27-pentadecaenyl)pyridine

C110H60N4 — CID 158452838

About 3-(12-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11,13,15(30),17,19,21,23,25(29),26-pentadecaenyl)pyridine;3-(13-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaenyl)pyridine;3-(26-pyridin-3-yl-12-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2(16),3,5,7,9,11,13,15(30),17,19,21,23,25,27-pentadecaenyl)pyridine

3-(12-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11,13,15(30),17,19,21,23,25(29),26-pentadecaenyl)pyridine;3-(13-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaenyl)pyridine;3-(26-pyridin-3-yl-12-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2(16),3,5,7,9,11,13,15(30),17,19,21,23,25,27-pentadecaenyl)pyridine (PubChem CID 158452838) has the molecular formula C110H60N4 and a molecular weight of 1437.72 g/mol. Its IUPAC name is 3-(12-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11,13,15(30),17,19,21,23,25(29),26-pentadecaenyl)pyridine;3-(13-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaenyl)pyridine;3-(26-pyridin-3-yl-12-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2(16),3,5,7,9,11,13,15(30),17,19,21,23,25,27-pentadecaenyl)pyridine.

Molecular Properties

• Compound Name: 3-(12-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11,13,15(30),17,19,21,23,25(29),26-pentadecaenyl)pyridine;3-(13-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaenyl)pyridine;3-(26-pyridin-3-yl-12-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2(16),3,5,7,9,11,13,15(30),17,19,21,23,25,27-pentadecaenyl)pyridine
• PubChem CID: 158452838
• Molecular Formula: C110H60N4
• Molecular Weight: 1437.72 g/mol
• Exact Mass: 1436.48
• IUPAC Name: 3-(12-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11,13,15(30),17,19,21,23,25(29),26-pentadecaenyl)pyridine;3-(13-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaenyl)pyridine;3-(26-pyridin-3-yl-12-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2(16),3,5,7,9,11,13,15(30),17,19,21,23,25,27-pentadecaenyl)pyridine
• SMILES: c1cncc(-c2cc3c4ccccc4c4cc5c(cc6c7ccccc7c7cccc5c76)c(c2)c34)c1.c1cncc(-c2ccc3c4cc5c6ccccc6c6c(-c7cccnc7)ccc(c4cc4c7ccccc7c2c34)c56)c1.c1cncc(-c2ccc3c4cc5c6ccccc6c6cccc(c4cc4c7ccccc7c2c34)c65)c1
• InChI: InChI=1S/C40H22N2.2C35H19N/c1-3-11-29-27(9-1)35-19-33-32-16-14-26(24-8-6-18-42-22-24)38-30-12-4-2-10-28(30)36(40(32)38)20-34(33)31-15-13-25(37(29)39(31)35)23-7-5-17-41-21-23;1-2-9-23-22(8-1)25-12-5-13-27-29-18-32-24-10-3-4-11-26(24)34-21(20-7-6-16-36-19-20)14-15-28(35(32)34)30(29)17-31(23)33(25)27;1-2-9-23-22(8-1)26-12-5-13-27-28-17-33-25-11-4-3-10-24(25)30-15-21(20-7-6-14-36-19-20)16-31(35(30)33)29(28)18-32(23)34(26)27/h1-22H;2*1-19H
• InChIKey: HEFBHBLQJSOFNS-UHFFFAOYSA-N
• XLogP: 30.15
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1437.72
LogP ≤ 5	30.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(12-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11,13,15(30),17,19,21,23,25(29),26-pentadecaenyl)pyridine;3-(13-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaenyl)pyridine;3-(26-pyridin-3-yl-12-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2(16),3,5,7,9,11,13,15(30),17,19,21,23,25,27-pentadecaenyl)pyridine?

The IUPAC name of 3-(12-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11,13,15(30),17,19,21,23,25(29),26-pentadecaenyl)pyridine;3-(13-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaenyl)pyridine;3-(26-pyridin-3-yl-12-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2(16),3,5,7,9,11,13,15(30),17,19,21,23,25,27-pentadecaenyl)pyridine (CID 158452838) is 3-(12-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11,13,15(30),17,19,21,23,25(29),26-pentadecaenyl)pyridine;3-(13-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaenyl)pyridine;3-(26-pyridin-3-yl-12-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2(16),3,5,7,9,11,13,15(30),17,19,21,23,25,27-pentadecaenyl)pyridine.

What is the SMILES notation for 3-(12-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11,13,15(30),17,19,21,23,25(29),26-pentadecaenyl)pyridine;3-(13-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaenyl)pyridine;3-(26-pyridin-3-yl-12-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2(16),3,5,7,9,11,13,15(30),17,19,21,23,25,27-pentadecaenyl)pyridine?

The canonical SMILES for 3-(12-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11,13,15(30),17,19,21,23,25(29),26-pentadecaenyl)pyridine;3-(13-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaenyl)pyridine;3-(26-pyridin-3-yl-12-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2(16),3,5,7,9,11,13,15(30),17,19,21,23,25,27-pentadecaenyl)pyridine is c1cncc(-c2cc3c4ccccc4c4cc5c(cc6c7ccccc7c7cccc5c76)c(c2)c34)c1.c1cncc(-c2ccc3c4cc5c6ccccc6c6c(-c7cccnc7)ccc(c4cc4c7ccccc7c2c34)c56)c1.c1cncc(-c2ccc3c4cc5c6ccccc6c6cccc(c4cc4c7ccccc7c2c34)c65)c1.

What is the InChIKey of 3-(12-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11,13,15(30),17,19,21,23,25(29),26-pentadecaenyl)pyridine;3-(13-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaenyl)pyridine;3-(26-pyridin-3-yl-12-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2(16),3,5,7,9,11,13,15(30),17,19,21,23,25,27-pentadecaenyl)pyridine?

The InChIKey is HEFBHBLQJSOFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22N2.2C35H19N/c1-3-11-29-27(9-1)35-19-33-32-16-14-26(24-8-6-18-42-22-24)38-30-12-4-2-10-28(30)36(40(32)38)20-34(33)31-15-13-25(37(29)39(31)35)23-7-5-17-41-21-23;1-2-9-23-22(8-1)25-12-5-13-27-29-18-32-24-10-3-4-11-26(24)34-21(20-7-6-16-36-19-20)14-15-28(35(32)34)30(29)17-31(23)33(25)27;1-2-9-23-22(8-1)26-12-5-13-27-28-17-33-25-11-4-3-10-24(25)30-15-21(20-7-6-14-36-19-20)16-31(35(30)33)29(28)18-32(23)34(26)27/h1-22H;2*1-19H.

What are the key properties of 3-(12-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11,13,15(30),17,19,21,23,25(29),26-pentadecaenyl)pyridine;3-(13-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaenyl)pyridine;3-(26-pyridin-3-yl-12-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2(16),3,5,7,9,11,13,15(30),17,19,21,23,25,27-pentadecaenyl)pyridine?

3-(12-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11,13,15(30),17,19,21,23,25(29),26-pentadecaenyl)pyridine;3-(13-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaenyl)pyridine;3-(26-pyridin-3-yl-12-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2(16),3,5,7,9,11,13,15(30),17,19,21,23,25,27-pentadecaenyl)pyridine has a molecular weight of 1437.72 g/mol, XLogP of 30.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(12-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11,13,15(30),17,19,21,23,25(29),26-pentadecaenyl)pyridine;3-(13-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaenyl)pyridine;3-(26-pyridin-3-yl-12-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2(16),3,5,7,9,11,13,15(30),17,19,21,23,25,27-pentadecaenyl)pyridine is sourced from PubChem (CID 158452838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).