5,21-bis(2,6-dimethylphenyl)-16,32-diselena-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene

C46H32N2Se2 — CID 177266009

About 5,21-bis(2,6-dimethylphenyl)-16,32-diselena-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene

5,21-bis(2,6-dimethylphenyl)-16,32-diselena-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene (PubChem CID 177266009) has the molecular formula C46H32N2Se2 and a molecular weight of 770.70 g/mol. Its IUPAC name is 5,21-bis(2,6-dimethylphenyl)-16,32-diselena-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene.

Molecular Properties

• Compound Name: 5,21-bis(2,6-dimethylphenyl)-16,32-diselena-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene
• PubChem CID: 177266009
• Molecular Formula: C46H32N2Se2
• Molecular Weight: 770.70 g/mol
• Exact Mass: 772.09
• IUPAC Name: 5,21-bis(2,6-dimethylphenyl)-16,32-diselena-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene
• SMILES: Cc1cccc(C)c1-c1ccc2c(c1)c1c3[se]c4ccccc4n4c5ccc(-c6c(C)cccc6C)cc5c(c5[se]c6ccccc6n2c51)c34
• InChI: InChI=1S/C46H32N2Se2/c1-25-11-9-12-26(2)39(25)29-19-21-33-31(23-29)41-43-46(50-37-17-7-5-15-35(37)47(33)43)42-32-24-30(40-27(3)13-10-14-28(40)4)20-22-34(32)48-36-16-6-8-18-38(36)49-45(41)44(42)48/h5-24H,1-4H3
• InChIKey: PZLAJBJHODCHOB-UHFFFAOYSA-N
• XLogP: 11.79
• TPSA: 8.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	770.70
LogP ≤ 5	11.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,21-bis(2,6-dimethylphenyl)-16,32-diselena-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene?

The IUPAC name of 5,21-bis(2,6-dimethylphenyl)-16,32-diselena-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene (CID 177266009) is 5,21-bis(2,6-dimethylphenyl)-16,32-diselena-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene.

What is the SMILES notation for 5,21-bis(2,6-dimethylphenyl)-16,32-diselena-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene?

The canonical SMILES for 5,21-bis(2,6-dimethylphenyl)-16,32-diselena-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene is Cc1cccc(C)c1-c1ccc2c(c1)c1c3[se]c4ccccc4n4c5ccc(-c6c(C)cccc6C)cc5c(c5[se]c6ccccc6n2c51)c34.

What is the InChIKey of 5,21-bis(2,6-dimethylphenyl)-16,32-diselena-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene?

The InChIKey is PZLAJBJHODCHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2Se2/c1-25-11-9-12-26(2)39(25)29-19-21-33-31(23-29)41-43-46(50-37-17-7-5-15-35(37)47(33)43)42-32-24-30(40-27(3)13-10-14-28(40)4)20-22-34(32)48-36-16-6-8-18-38(36)49-45(41)44(42)48/h5-24H,1-4H3.

What are the key properties of 5,21-bis(2,6-dimethylphenyl)-16,32-diselena-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene?

5,21-bis(2,6-dimethylphenyl)-16,32-diselena-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene has a molecular weight of 770.70 g/mol, XLogP of 11.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5,21-bis(2,6-dimethylphenyl)-16,32-diselena-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene is sourced from PubChem (CID 177266009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).