13-(3-imidazo[1,2-f]phenanthridin-11-yloxyphenyl)-5,5-dimethyl-12-phenyl-1,8-naphthyridino[2,3-a]carbazole

C47H33N5O — CID 140951586

About 13-(3-imidazo[1,2-f]phenanthridin-11-yloxyphenyl)-5,5-dimethyl-12-phenyl-1,8-naphthyridino[2,3-a]carbazole

13-(3-imidazo[1,2-f]phenanthridin-11-yloxyphenyl)-5,5-dimethyl-12-phenyl-1,8-naphthyridino[2,3-a]carbazole (PubChem CID 140951586) has the molecular formula C47H33N5O and a molecular weight of 683.82 g/mol. Its IUPAC name is 13-(3-imidazo[1,2-f]phenanthridin-11-yloxyphenyl)-5,5-dimethyl-12-phenyl-1,8-naphthyridino[2,3-a]carbazole.

Molecular Properties

• Compound Name: 13-(3-imidazo[1,2-f]phenanthridin-11-yloxyphenyl)-5,5-dimethyl-12-phenyl-1,8-naphthyridino[2,3-a]carbazole
• PubChem CID: 140951586
• Molecular Formula: C47H33N5O
• Molecular Weight: 683.82 g/mol
• Exact Mass: 683.27
• IUPAC Name: 13-(3-imidazo[1,2-f]phenanthridin-11-yloxyphenyl)-5,5-dimethyl-12-phenyl-1,8-naphthyridino[2,3-a]carbazole
• SMILES: CC1(C)c2cccnc2N(c2cccc(Oc3ccc4c5ccccc5n5ccnc5c4c3)c2)c2c1ccc1c3ccccc3n(-c3ccccc3)c21
• InChI: InChI=1S/C47H33N5O/c1-47(2)39-24-23-37-36-17-7-9-20-42(36)51(30-12-4-3-5-13-30)43(37)44(39)52(46-40(47)18-11-25-48-46)31-14-10-15-32(28-31)53-33-21-22-34-35-16-6-8-19-41(35)50-27-26-49-45(50)38(34)29-33/h3-29H,1-2H3
• InChIKey: HMVGHRQRLRSNQM-UHFFFAOYSA-N
• XLogP: 12.03
• TPSA: 47.59 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	683.82
LogP ≤ 5	12.03
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 13-(3-imidazo[1,2-f]phenanthridin-11-yloxyphenyl)-5,5-dimethyl-12-phenyl-1,8-naphthyridino[2,3-a]carbazole?

The IUPAC name of 13-(3-imidazo[1,2-f]phenanthridin-11-yloxyphenyl)-5,5-dimethyl-12-phenyl-1,8-naphthyridino[2,3-a]carbazole (CID 140951586) is 13-(3-imidazo[1,2-f]phenanthridin-11-yloxyphenyl)-5,5-dimethyl-12-phenyl-1,8-naphthyridino[2,3-a]carbazole.

What is the SMILES notation for 13-(3-imidazo[1,2-f]phenanthridin-11-yloxyphenyl)-5,5-dimethyl-12-phenyl-1,8-naphthyridino[2,3-a]carbazole?

The canonical SMILES for 13-(3-imidazo[1,2-f]phenanthridin-11-yloxyphenyl)-5,5-dimethyl-12-phenyl-1,8-naphthyridino[2,3-a]carbazole is CC1(C)c2cccnc2N(c2cccc(Oc3ccc4c5ccccc5n5ccnc5c4c3)c2)c2c1ccc1c3ccccc3n(-c3ccccc3)c21.

What is the InChIKey of 13-(3-imidazo[1,2-f]phenanthridin-11-yloxyphenyl)-5,5-dimethyl-12-phenyl-1,8-naphthyridino[2,3-a]carbazole?

The InChIKey is HMVGHRQRLRSNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N5O/c1-47(2)39-24-23-37-36-17-7-9-20-42(36)51(30-12-4-3-5-13-30)43(37)44(39)52(46-40(47)18-11-25-48-46)31-14-10-15-32(28-31)53-33-21-22-34-35-16-6-8-19-41(35)50-27-26-49-45(50)38(34)29-33/h3-29H,1-2H3.

What are the key properties of 13-(3-imidazo[1,2-f]phenanthridin-11-yloxyphenyl)-5,5-dimethyl-12-phenyl-1,8-naphthyridino[2,3-a]carbazole?

13-(3-imidazo[1,2-f]phenanthridin-11-yloxyphenyl)-5,5-dimethyl-12-phenyl-1,8-naphthyridino[2,3-a]carbazole has a molecular weight of 683.82 g/mol, XLogP of 12.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 13-(3-imidazo[1,2-f]phenanthridin-11-yloxyphenyl)-5,5-dimethyl-12-phenyl-1,8-naphthyridino[2,3-a]carbazole is sourced from PubChem (CID 140951586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).