2,18-diazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),3,5,7,9,11,13(34),14,16,19,21,23,25,27,29(33),30-hexadecaene

C32H18N2 — CID 171595191

About 2,18-diazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),3,5,7,9,11,13(34),14,16,19,21,23,25,27,29(33),30-hexadecaene

2,18-diazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),3,5,7,9,11,13(34),14,16,19,21,23,25,27,29(33),30-hexadecaene (PubChem CID 171595191) has the molecular formula C32H18N2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2,18-diazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),3,5,7,9,11,13(34),14,16,19,21,23,25,27,29(33),30-hexadecaene.

Molecular Properties

• Compound Name: 2,18-diazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),3,5,7,9,11,13(34),14,16,19,21,23,25,27,29(33),30-hexadecaene
• PubChem CID: 171595191
• Molecular Formula: C32H18N2
• Molecular Weight: 430.51 g/mol
• Exact Mass: 430.15
• IUPAC Name: 2,18-diazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),3,5,7,9,11,13(34),14,16,19,21,23,25,27,29(33),30-hexadecaene
• SMILES: c1ccc2cc3c(cc2c1)c1cccc2c1n3c1cccc3c4cc5ccccc5cc4n2c31
• InChI: InChI=1S/C32H18N2/c1-3-9-21-17-29-25(15-19(21)7-1)23-11-5-13-27-31(23)33(29)28-14-6-12-24-26-16-20-8-2-4-10-22(20)18-30(26)34(27)32(24)28/h1-18H
• InChIKey: OIRRYDSDUSXRCC-UHFFFAOYSA-N
• XLogP: 8.55
• TPSA: 8.82 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.51
LogP ≤ 5	8.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,18-diazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),3,5,7,9,11,13(34),14,16,19,21,23,25,27,29(33),30-hexadecaene?

The IUPAC name of 2,18-diazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),3,5,7,9,11,13(34),14,16,19,21,23,25,27,29(33),30-hexadecaene (CID 171595191) is 2,18-diazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),3,5,7,9,11,13(34),14,16,19,21,23,25,27,29(33),30-hexadecaene.

What is the SMILES notation for 2,18-diazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),3,5,7,9,11,13(34),14,16,19,21,23,25,27,29(33),30-hexadecaene?

The canonical SMILES for 2,18-diazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),3,5,7,9,11,13(34),14,16,19,21,23,25,27,29(33),30-hexadecaene is c1ccc2cc3c(cc2c1)c1cccc2c1n3c1cccc3c4cc5ccccc5cc4n2c31.

What is the InChIKey of 2,18-diazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),3,5,7,9,11,13(34),14,16,19,21,23,25,27,29(33),30-hexadecaene?

The InChIKey is OIRRYDSDUSXRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N2/c1-3-9-21-17-29-25(15-19(21)7-1)23-11-5-13-27-31(23)33(29)28-14-6-12-24-26-16-20-8-2-4-10-22(20)18-30(26)34(27)32(24)28/h1-18H.

What are the key properties of 2,18-diazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),3,5,7,9,11,13(34),14,16,19,21,23,25,27,29(33),30-hexadecaene?

2,18-diazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),3,5,7,9,11,13(34),14,16,19,21,23,25,27,29(33),30-hexadecaene has a molecular weight of 430.51 g/mol, XLogP of 8.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,18-diazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),3,5,7,9,11,13(34),14,16,19,21,23,25,27,29(33),30-hexadecaene is sourced from PubChem (CID 171595191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).