9-[5,8-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene

C44H32N6O — CID 154610500

About 9-[5,8-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene

9-[5,8-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene (PubChem CID 154610500) has the molecular formula C44H32N6O and a molecular weight of 660.78 g/mol. Its IUPAC name is 9-[5,8-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene.

Molecular Properties

• Compound Name: 9-[5,8-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene
• PubChem CID: 154610500
• Molecular Formula: C44H32N6O
• Molecular Weight: 660.78 g/mol
• Exact Mass: 660.26
• IUPAC Name: 9-[5,8-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene
• SMILES: Cc1cccc(C)c1-c1ccc(-c2c(C)cccc2C)c2c1c1ccc(Oc3ccc4c5cncnc5n5ccnc5c4c3)cc1c1nccn12
• InChI: InChI=1S/C44H32N6O/c1-25-7-5-8-26(2)38(25)33-15-16-34(39-27(3)9-6-10-28(39)4)41-40(33)32-14-12-30(22-36(32)42-46-17-19-49(41)42)51-29-11-13-31-35(21-29)43-47-18-20-50(43)44-37(31)23-45-24-48-44/h5-24H,1-4H3
• InChIKey: VSLPCYYHHGGSDR-UHFFFAOYSA-N
• XLogP: 10.74
• TPSA: 69.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	660.78
LogP ≤ 5	10.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[5,8-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene?

The IUPAC name of 9-[5,8-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene (CID 154610500) is 9-[5,8-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene.

What is the SMILES notation for 9-[5,8-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene?

The canonical SMILES for 9-[5,8-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene is Cc1cccc(C)c1-c1ccc(-c2c(C)cccc2C)c2c1c1ccc(Oc3ccc4c5cncnc5n5ccnc5c4c3)cc1c1nccn12.

What is the InChIKey of 9-[5,8-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene?

The InChIKey is VSLPCYYHHGGSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N6O/c1-25-7-5-8-26(2)38(25)33-15-16-34(39-27(3)9-6-10-28(39)4)41-40(33)32-14-12-30(22-36(32)42-46-17-19-49(41)42)51-29-11-13-31-35(21-29)43-47-18-20-50(43)44-37(31)23-45-24-48-44/h5-24H,1-4H3.

What are the key properties of 9-[5,8-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene?

9-[5,8-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene has a molecular weight of 660.78 g/mol, XLogP of 10.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[5,8-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene is sourced from PubChem (CID 154610500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).