3-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline;chloroplatinum(1+)

C32H17ClF6N2Pt — CID 59863407

About 3-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline;chloroplatinum(1+)

3-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline;chloroplatinum(1+) (PubChem CID 59863407) has the molecular formula C32H17ClF6N2Pt and a molecular weight of 774.02 g/mol. Its IUPAC name is 3-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline;chloroplatinum(1+).

Molecular Properties

• Compound Name: 3-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline;chloroplatinum(1+)
• PubChem CID: 59863407
• Molecular Formula: C32H17ClF6N2Pt
• Molecular Weight: 774.02 g/mol
• Exact Mass: 773.06
• IUPAC Name: 3-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline;chloroplatinum(1+)
• SMILES: Cl[Pt+].FC(F)(F)c1cc(-c2cc(-c3[c-]cc4ccccc4c3)nc(-c3cc4ccccc4cn3)c2)cc(C(F)(F)F)c1
• InChI: InChI=1S/C32H17F6N2.ClH.Pt/c33-31(34,35)26-12-24(13-27(17-26)32(36,37)38)25-15-28(22-10-9-19-5-1-2-6-20(19)11-22)40-30(16-25)29-14-21-7-3-4-8-23(21)18-39-29;;/h1-9,11-18H;1H;/q-1;;+2/p-1
• InChIKey: UWPNPRNJJFAODM-UHFFFAOYSA-M
• XLogP: 10.31
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	774.02
LogP ≤ 5	10.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline;chloroplatinum(1+)?

The IUPAC name of 3-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline;chloroplatinum(1+) (CID 59863407) is 3-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline;chloroplatinum(1+).

What is the SMILES notation for 3-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline;chloroplatinum(1+)?

The canonical SMILES for 3-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline;chloroplatinum(1+) is Cl[Pt+].FC(F)(F)c1cc(-c2cc(-c3[c-]cc4ccccc4c3)nc(-c3cc4ccccc4cn3)c2)cc(C(F)(F)F)c1.

What is the InChIKey of 3-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline;chloroplatinum(1+)?

The InChIKey is UWPNPRNJJFAODM-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H17F6N2.ClH.Pt/c33-31(34,35)26-12-24(13-27(17-26)32(36,37)38)25-15-28(22-10-9-19-5-1-2-6-20(19)11-22)40-30(16-25)29-14-21-7-3-4-8-23(21)18-39-29;;/h1-9,11-18H;1H;/q-1;;+2/p-1.

What are the key properties of 3-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline;chloroplatinum(1+)?

3-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline;chloroplatinum(1+) has a molecular weight of 774.02 g/mol, XLogP of 10.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline;chloroplatinum(1+) is sourced from PubChem (CID 59863407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).