29-(2,6-dipyridin-2-yl-4-pyridinyl)-7,22,22,33,33-pentamethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene

C52H40N4 — CID 162176987

About 29-(2,6-dipyridin-2-yl-4-pyridinyl)-7,22,22,33,33-pentamethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene

29-(2,6-dipyridin-2-yl-4-pyridinyl)-7,22,22,33,33-pentamethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene (PubChem CID 162176987) has the molecular formula C52H40N4 and a molecular weight of 720.92 g/mol. Its IUPAC name is 29-(2,6-dipyridin-2-yl-4-pyridinyl)-7,22,22,33,33-pentamethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene.

Molecular Properties

• Compound Name: 29-(2,6-dipyridin-2-yl-4-pyridinyl)-7,22,22,33,33-pentamethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene
• PubChem CID: 162176987
• Molecular Formula: C52H40N4
• Molecular Weight: 720.92 g/mol
• Exact Mass: 720.33
• IUPAC Name: 29-(2,6-dipyridin-2-yl-4-pyridinyl)-7,22,22,33,33-pentamethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene
• SMILES: Cc1ccc2c(c1)c1ccccc1c1cc3c(cc21)C(C)(C)c1cc2c(cc1-3)C(C)(C)c1ccccc1N2c1cc(-c2ccccn2)nc(-c2ccccn2)c1
• InChI: InChI=1S/C52H40N4/c1-31-20-21-35-36(24-31)33-14-6-7-15-34(33)37-27-39-40-29-44-50(30-43(40)52(4,5)42(39)28-38(35)37)56(49-19-9-8-16-41(49)51(44,2)3)32-25-47(45-17-10-12-22-53-45)55-48(26-32)46-18-11-13-23-54-46/h6-30H,1-5H3
• InChIKey: KFCXJFDFWMBQDV-UHFFFAOYSA-N
• XLogP: 13.39
• TPSA: 41.91 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	720.92
LogP ≤ 5	13.39
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 29-(2,6-dipyridin-2-yl-4-pyridinyl)-7,22,22,33,33-pentamethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene?

The IUPAC name of 29-(2,6-dipyridin-2-yl-4-pyridinyl)-7,22,22,33,33-pentamethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene (CID 162176987) is 29-(2,6-dipyridin-2-yl-4-pyridinyl)-7,22,22,33,33-pentamethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene.

What is the SMILES notation for 29-(2,6-dipyridin-2-yl-4-pyridinyl)-7,22,22,33,33-pentamethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene?

The canonical SMILES for 29-(2,6-dipyridin-2-yl-4-pyridinyl)-7,22,22,33,33-pentamethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene is Cc1ccc2c(c1)c1ccccc1c1cc3c(cc21)C(C)(C)c1cc2c(cc1-3)C(C)(C)c1ccccc1N2c1cc(-c2ccccn2)nc(-c2ccccn2)c1.

What is the InChIKey of 29-(2,6-dipyridin-2-yl-4-pyridinyl)-7,22,22,33,33-pentamethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene?

The InChIKey is KFCXJFDFWMBQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H40N4/c1-31-20-21-35-36(24-31)33-14-6-7-15-34(33)37-27-39-40-29-44-50(30-43(40)52(4,5)42(39)28-38(35)37)56(49-19-9-8-16-41(49)51(44,2)3)32-25-47(45-17-10-12-22-53-45)55-48(26-32)46-18-11-13-23-54-46/h6-30H,1-5H3.

What are the key properties of 29-(2,6-dipyridin-2-yl-4-pyridinyl)-7,22,22,33,33-pentamethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene?

29-(2,6-dipyridin-2-yl-4-pyridinyl)-7,22,22,33,33-pentamethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene has a molecular weight of 720.92 g/mol, XLogP of 13.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 29-(2,6-dipyridin-2-yl-4-pyridinyl)-7,22,22,33,33-pentamethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene is sourced from PubChem (CID 162176987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).