1-(4-tert-butyl-2-pyridinyl)-7-[2-[1-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-2,3,4,8-tetrahydroquinolin-8-id-7-yl]propan-2-yl]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)

C44H48N4Pt — CID 168844776

About 1-(4-tert-butyl-2-pyridinyl)-7-[2-[1-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-2,3,4,8-tetrahydroquinolin-8-id-7-yl]propan-2-yl]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)

1-(4-tert-butyl-2-pyridinyl)-7-[2-[1-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-2,3,4,8-tetrahydroquinolin-8-id-7-yl]propan-2-yl]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+) (PubChem CID 168844776) has the molecular formula C44H48N4Pt and a molecular weight of 827.97 g/mol. Its IUPAC name is 1-(4-tert-butyl-2-pyridinyl)-7-[2-[1-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-2,3,4,8-tetrahydroquinolin-8-id-7-yl]propan-2-yl]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+).

Molecular Properties

• Compound Name: 1-(4-tert-butyl-2-pyridinyl)-7-[2-[1-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-2,3,4,8-tetrahydroquinolin-8-id-7-yl]propan-2-yl]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)
• PubChem CID: 168844776
• Molecular Formula: C44H48N4Pt
• Molecular Weight: 827.97 g/mol
• Exact Mass: 827.35
• IUPAC Name: 1-(4-tert-butyl-2-pyridinyl)-7-[2-[1-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-2,3,4,8-tetrahydroquinolin-8-id-7-yl]propan-2-yl]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)
• SMILES: CC(C)(C)c1ccnc(N2CCCc3ccc(C(C)(C)c4[c-]c5c(cc4)CCCN5c4cc(C(C)(C)c5ccccc5)ccn4)[c-]c32)c1.[Pt+2]
• InChI: InChI=1S/C44H48N4.Pt/c1-42(2,3)34-21-23-45-40(29-34)47-25-11-13-31-17-19-35(27-38(31)47)44(6,7)36-20-18-32-14-12-26-48(39(32)28-36)41-30-37(22-24-46-41)43(4,5)33-15-9-8-10-16-33;/h8-10,15-24,29-30H,11-14,25-26H2,1-7H3;/q-2;+2
• InChIKey: GSOXRMOYDSOIGK-UHFFFAOYSA-N
• XLogP: 10.19
• TPSA: 32.26 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	827.97
LogP ≤ 5	10.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2-pyridinyl)-7-[2-[1-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-2,3,4,8-tetrahydroquinolin-8-id-7-yl]propan-2-yl]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)?

The IUPAC name of 1-(4-tert-butyl-2-pyridinyl)-7-[2-[1-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-2,3,4,8-tetrahydroquinolin-8-id-7-yl]propan-2-yl]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+) (CID 168844776) is 1-(4-tert-butyl-2-pyridinyl)-7-[2-[1-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-2,3,4,8-tetrahydroquinolin-8-id-7-yl]propan-2-yl]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+).

What is the SMILES notation for 1-(4-tert-butyl-2-pyridinyl)-7-[2-[1-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-2,3,4,8-tetrahydroquinolin-8-id-7-yl]propan-2-yl]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)?

The canonical SMILES for 1-(4-tert-butyl-2-pyridinyl)-7-[2-[1-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-2,3,4,8-tetrahydroquinolin-8-id-7-yl]propan-2-yl]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+) is CC(C)(C)c1ccnc(N2CCCc3ccc(C(C)(C)c4[c-]c5c(cc4)CCCN5c4cc(C(C)(C)c5ccccc5)ccn4)[c-]c32)c1.[Pt+2].

What is the InChIKey of 1-(4-tert-butyl-2-pyridinyl)-7-[2-[1-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-2,3,4,8-tetrahydroquinolin-8-id-7-yl]propan-2-yl]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)?

The InChIKey is GSOXRMOYDSOIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H48N4.Pt/c1-42(2,3)34-21-23-45-40(29-34)47-25-11-13-31-17-19-35(27-38(31)47)44(6,7)36-20-18-32-14-12-26-48(39(32)28-36)41-30-37(22-24-46-41)43(4,5)33-15-9-8-10-16-33;/h8-10,15-24,29-30H,11-14,25-26H2,1-7H3;/q-2;+2.

What are the key properties of 1-(4-tert-butyl-2-pyridinyl)-7-[2-[1-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-2,3,4,8-tetrahydroquinolin-8-id-7-yl]propan-2-yl]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)?

1-(4-tert-butyl-2-pyridinyl)-7-[2-[1-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-2,3,4,8-tetrahydroquinolin-8-id-7-yl]propan-2-yl]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+) has a molecular weight of 827.97 g/mol, XLogP of 10.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-tert-butyl-2-pyridinyl)-7-[2-[1-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-2,3,4,8-tetrahydroquinolin-8-id-7-yl]propan-2-yl]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+) is sourced from PubChem (CID 168844776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).