9-imidazo[1,2-f]phenanthridin-11-yloxy-3-(2,4,6-trimethylphenyl)-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene

C38H27N5O — CID 140950385

About 9-imidazo[1,2-f]phenanthridin-11-yloxy-3-(2,4,6-trimethylphenyl)-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene

9-imidazo[1,2-f]phenanthridin-11-yloxy-3-(2,4,6-trimethylphenyl)-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene (PubChem CID 140950385) has the molecular formula C38H27N5O and a molecular weight of 569.67 g/mol. Its IUPAC name is 9-imidazo[1,2-f]phenanthridin-11-yloxy-3-(2,4,6-trimethylphenyl)-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene.

Molecular Properties

• Compound Name: 9-imidazo[1,2-f]phenanthridin-11-yloxy-3-(2,4,6-trimethylphenyl)-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
• PubChem CID: 140950385
• Molecular Formula: C38H27N5O
• Molecular Weight: 569.67 g/mol
• Exact Mass: 569.22
• IUPAC Name: 9-imidazo[1,2-f]phenanthridin-11-yloxy-3-(2,4,6-trimethylphenyl)-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
• SMILES: Cc1cc(C)c(-c2cnc3c4cc(Oc5ccc6c7ccccc7n7ccnc7c6c5)ccc4c4ncccc4n23)c(C)c1
• InChI: InChI=1S/C38H27N5O/c1-22-17-23(2)35(24(3)18-22)34-21-41-38-31-20-26(11-13-29(31)36-33(43(34)38)9-6-14-39-36)44-25-10-12-27-28-7-4-5-8-32(28)42-16-15-40-37(42)30(27)19-25/h4-21H,1-3H3
• InChIKey: GCHTURAEXDBKAU-UHFFFAOYSA-N
• XLogP: 9.37
• TPSA: 56.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.67
LogP ≤ 5	9.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-imidazo[1,2-f]phenanthridin-11-yloxy-3-(2,4,6-trimethylphenyl)-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene?

The IUPAC name of 9-imidazo[1,2-f]phenanthridin-11-yloxy-3-(2,4,6-trimethylphenyl)-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene (CID 140950385) is 9-imidazo[1,2-f]phenanthridin-11-yloxy-3-(2,4,6-trimethylphenyl)-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene.

What is the SMILES notation for 9-imidazo[1,2-f]phenanthridin-11-yloxy-3-(2,4,6-trimethylphenyl)-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene?

The canonical SMILES for 9-imidazo[1,2-f]phenanthridin-11-yloxy-3-(2,4,6-trimethylphenyl)-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene is Cc1cc(C)c(-c2cnc3c4cc(Oc5ccc6c7ccccc7n7ccnc7c6c5)ccc4c4ncccc4n23)c(C)c1.

What is the InChIKey of 9-imidazo[1,2-f]phenanthridin-11-yloxy-3-(2,4,6-trimethylphenyl)-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene?

The InChIKey is GCHTURAEXDBKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N5O/c1-22-17-23(2)35(24(3)18-22)34-21-41-38-31-20-26(11-13-29(31)36-33(43(34)38)9-6-14-39-36)44-25-10-12-27-28-7-4-5-8-32(28)42-16-15-40-37(42)30(27)19-25/h4-21H,1-3H3.

What are the key properties of 9-imidazo[1,2-f]phenanthridin-11-yloxy-3-(2,4,6-trimethylphenyl)-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene?

9-imidazo[1,2-f]phenanthridin-11-yloxy-3-(2,4,6-trimethylphenyl)-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene has a molecular weight of 569.67 g/mol, XLogP of 9.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-imidazo[1,2-f]phenanthridin-11-yloxy-3-(2,4,6-trimethylphenyl)-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene is sourced from PubChem (CID 140950385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).