4-tert-butyl-N-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-6-(4-tert-butyl-2-pyridinyl)pyridin-1-id-2-imine;platinum(2+)

C37H46N4Pt — CID 162457376

About 4-tert-butyl-N-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-6-(4-tert-butyl-2-pyridinyl)pyridin-1-id-2-imine;platinum(2+)

4-tert-butyl-N-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-6-(4-tert-butyl-2-pyridinyl)pyridin-1-id-2-imine;platinum(2+) (PubChem CID 162457376) has the molecular formula C37H46N4Pt and a molecular weight of 741.88 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-6-(4-tert-butyl-2-pyridinyl)pyridin-1-id-2-imine;platinum(2+).

Molecular Properties

• Compound Name: 4-tert-butyl-N-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-6-(4-tert-butyl-2-pyridinyl)pyridin-1-id-2-imine;platinum(2+)
• PubChem CID: 162457376
• Molecular Formula: C37H46N4Pt
• Molecular Weight: 741.88 g/mol
• Exact Mass: 741.34
• IUPAC Name: 4-tert-butyl-N-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-6-(4-tert-butyl-2-pyridinyl)pyridin-1-id-2-imine;platinum(2+)
• SMILES: CC(C)(C)c1cc(/N=c2/cc(C(C)(C)C)cc(-c3cc(C(C)(C)C)ccn3)[n-]2)[c-]c(-c2cc(C(C)(C)C)ccn2)c1.[Pt+2]
• InChI: InChI=1S/C37H46N4.Pt/c1-34(2,3)25-13-15-38-30(20-25)24-17-27(36(7,8)9)19-29(18-24)40-33-23-28(37(10,11)12)22-32(41-33)31-21-26(14-16-39-31)35(4,5)6;/h13-17,19-23H,1-12H3;/q-2;+2
• InChIKey: IMTCXZGPSKJAIT-UHFFFAOYSA-N
• XLogP: 8.99
• TPSA: 52.24 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.88
LogP ≤ 5	8.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-6-(4-tert-butyl-2-pyridinyl)pyridin-1-id-2-imine;platinum(2+)?

The IUPAC name of 4-tert-butyl-N-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-6-(4-tert-butyl-2-pyridinyl)pyridin-1-id-2-imine;platinum(2+) (CID 162457376) is 4-tert-butyl-N-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-6-(4-tert-butyl-2-pyridinyl)pyridin-1-id-2-imine;platinum(2+).

What is the SMILES notation for 4-tert-butyl-N-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-6-(4-tert-butyl-2-pyridinyl)pyridin-1-id-2-imine;platinum(2+)?

The canonical SMILES for 4-tert-butyl-N-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-6-(4-tert-butyl-2-pyridinyl)pyridin-1-id-2-imine;platinum(2+) is CC(C)(C)c1cc(/N=c2/cc(C(C)(C)C)cc(-c3cc(C(C)(C)C)ccn3)[n-]2)[c-]c(-c2cc(C(C)(C)C)ccn2)c1.[Pt+2].

What is the InChIKey of 4-tert-butyl-N-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-6-(4-tert-butyl-2-pyridinyl)pyridin-1-id-2-imine;platinum(2+)?

The InChIKey is IMTCXZGPSKJAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H46N4.Pt/c1-34(2,3)25-13-15-38-30(20-25)24-17-27(36(7,8)9)19-29(18-24)40-33-23-28(37(10,11)12)22-32(41-33)31-21-26(14-16-39-31)35(4,5)6;/h13-17,19-23H,1-12H3;/q-2;+2.

What are the key properties of 4-tert-butyl-N-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-6-(4-tert-butyl-2-pyridinyl)pyridin-1-id-2-imine;platinum(2+)?

4-tert-butyl-N-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-6-(4-tert-butyl-2-pyridinyl)pyridin-1-id-2-imine;platinum(2+) has a molecular weight of 741.88 g/mol, XLogP of 8.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-6-(4-tert-butyl-2-pyridinyl)pyridin-1-id-2-imine;platinum(2+) is sourced from PubChem (CID 162457376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).