22-(4-phenylquinolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene

C36H22N4 — CID 135212459

About 22-(4-phenylquinolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene

22-(4-phenylquinolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene (PubChem CID 135212459) has the molecular formula C36H22N4 and a molecular weight of 510.60 g/mol. Its IUPAC name is 22-(4-phenylquinolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene.

Molecular Properties

• Compound Name: 22-(4-phenylquinolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene
• PubChem CID: 135212459
• Molecular Formula: C36H22N4
• Molecular Weight: 510.60 g/mol
• Exact Mass: 510.18
• IUPAC Name: 22-(4-phenylquinolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene
• SMILES: c1ccc(-c2cc(-n3c4ccccc4c4c3nc3c5ccccc5c5ccccc5n34)nc3ccccc23)cc1
• InChI: InChI=1S/C36H22N4/c1-2-12-23(13-3-1)29-22-33(37-30-19-9-6-15-25(29)30)39-32-21-11-8-18-28(32)34-36(39)38-35-27-17-5-4-14-24(27)26-16-7-10-20-31(26)40(34)35/h1-22H
• InChIKey: OIXFDCUTFRLBBR-UHFFFAOYSA-N
• XLogP: 8.95
• TPSA: 35.12 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.60
LogP ≤ 5	8.95
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 22-(4-phenylquinolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene?

The IUPAC name of 22-(4-phenylquinolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene (CID 135212459) is 22-(4-phenylquinolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene.

What is the SMILES notation for 22-(4-phenylquinolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene?

The canonical SMILES for 22-(4-phenylquinolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene is c1ccc(-c2cc(-n3c4ccccc4c4c3nc3c5ccccc5c5ccccc5n34)nc3ccccc23)cc1.

What is the InChIKey of 22-(4-phenylquinolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene?

The InChIKey is OIXFDCUTFRLBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4/c1-2-12-23(13-3-1)29-22-33(37-30-19-9-6-15-25(29)30)39-32-21-11-8-18-28(32)34-36(39)38-35-27-17-5-4-14-24(27)26-16-7-10-20-31(26)40(34)35/h1-22H.

What are the key properties of 22-(4-phenylquinolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene?

22-(4-phenylquinolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene has a molecular weight of 510.60 g/mol, XLogP of 8.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 22-(4-phenylquinolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene is sourced from PubChem (CID 135212459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).