3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-13,13-dimethyl-8-phenyl-5-pyridin-2-yl-4H-indolo[3,2-a]acridin-4-ide;platinum(2+)

C48H32FN5Pt — CID 162461414

About 3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-13,13-dimethyl-8-phenyl-5-pyridin-2-yl-4H-indolo[3,2-a]acridin-4-ide;platinum(2+)

3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-13,13-dimethyl-8-phenyl-5-pyridin-2-yl-4H-indolo[3,2-a]acridin-4-ide;platinum(2+) (PubChem CID 162461414) has the molecular formula C48H32FN5Pt and a molecular weight of 892.90 g/mol. Its IUPAC name is 3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-13,13-dimethyl-8-phenyl-5-pyridin-2-yl-4H-indolo[3,2-a]acridin-4-ide;platinum(2+).

Molecular Properties

• Compound Name: 3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-13,13-dimethyl-8-phenyl-5-pyridin-2-yl-4H-indolo[3,2-a]acridin-4-ide;platinum(2+)
• PubChem CID: 162461414
• Molecular Formula: C48H32FN5Pt
• Molecular Weight: 892.90 g/mol
• Exact Mass: 892.23
• IUPAC Name: 3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-13,13-dimethyl-8-phenyl-5-pyridin-2-yl-4H-indolo[3,2-a]acridin-4-ide;platinum(2+)
• SMILES: CC1(C)c2ccc(C(F)c3[c-]c4c(cc3)c3ccccc3n3ccnc43)[c-]c2N(c2ccccn2)c2ccc3c(c21)c1ccccc1n3-c1ccccc1.[Pt+2]
• InChI: InChI=1S/C48H32FN5.Pt/c1-48(2)37-22-20-31(46(49)30-19-21-33-34-14-6-8-16-38(34)52-27-26-51-47(52)36(33)28-30)29-42(37)54(43-18-10-11-25-50-43)41-24-23-40-44(45(41)48)35-15-7-9-17-39(35)53(40)32-12-4-3-5-13-32;/h3-27,46H,1-2H3;/q-2;+2
• InChIKey: NVVYOYLPGPZCFZ-UHFFFAOYSA-N
• XLogP: 11.90
• TPSA: 38.36 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	892.90
LogP ≤ 5	11.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-13,13-dimethyl-8-phenyl-5-pyridin-2-yl-4H-indolo[3,2-a]acridin-4-ide;platinum(2+)?

The IUPAC name of 3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-13,13-dimethyl-8-phenyl-5-pyridin-2-yl-4H-indolo[3,2-a]acridin-4-ide;platinum(2+) (CID 162461414) is 3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-13,13-dimethyl-8-phenyl-5-pyridin-2-yl-4H-indolo[3,2-a]acridin-4-ide;platinum(2+).

What is the SMILES notation for 3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-13,13-dimethyl-8-phenyl-5-pyridin-2-yl-4H-indolo[3,2-a]acridin-4-ide;platinum(2+)?

The canonical SMILES for 3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-13,13-dimethyl-8-phenyl-5-pyridin-2-yl-4H-indolo[3,2-a]acridin-4-ide;platinum(2+) is CC1(C)c2ccc(C(F)c3[c-]c4c(cc3)c3ccccc3n3ccnc43)[c-]c2N(c2ccccn2)c2ccc3c(c21)c1ccccc1n3-c1ccccc1.[Pt+2].

What is the InChIKey of 3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-13,13-dimethyl-8-phenyl-5-pyridin-2-yl-4H-indolo[3,2-a]acridin-4-ide;platinum(2+)?

The InChIKey is NVVYOYLPGPZCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32FN5.Pt/c1-48(2)37-22-20-31(46(49)30-19-21-33-34-14-6-8-16-38(34)52-27-26-51-47(52)36(33)28-30)29-42(37)54(43-18-10-11-25-50-43)41-24-23-40-44(45(41)48)35-15-7-9-17-39(35)53(40)32-12-4-3-5-13-32;/h3-27,46H,1-2H3;/q-2;+2.

What are the key properties of 3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-13,13-dimethyl-8-phenyl-5-pyridin-2-yl-4H-indolo[3,2-a]acridin-4-ide;platinum(2+)?

3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-13,13-dimethyl-8-phenyl-5-pyridin-2-yl-4H-indolo[3,2-a]acridin-4-ide;platinum(2+) has a molecular weight of 892.90 g/mol, XLogP of 11.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-13,13-dimethyl-8-phenyl-5-pyridin-2-yl-4H-indolo[3,2-a]acridin-4-ide;platinum(2+) is sourced from PubChem (CID 162461414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).