4-(2,2-dimethylpropyl)-6-[2-[4-(2,2-dimethylpropyl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-2-pyridinyl]propan-2-yl]-N-(3-iminobut-1-enyl)pyridin-2-amine;platinum(2+)

C31H41F3N6Pt — CID 58161815

IUPAC4-(2,2-dimethylpropyl)-6-[2-[4-(2,2-dimethylpropyl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-2-pyridinyl]propan-2-yl]-N-(3-iminobut-1-enyl)pyridin-2-amine;platinum(2+)
SMILES[H]/N=C(C)/C=[C-]\Nc1cc(CC(C)(C)C)cc(C(C)(C)c2cc(CC(C)(C)C)cc(N/[C-]=C\C(=N/[H])C(F)(F)F)n2)n1.[Pt+2]
InChIInChI=1S/C31H41F3N6.Pt/c1-20(35)10-12-37-26-16-21(18-28(2,3)4)14-24(39-26)30(8,9)25-15-22(19-29(5,6)7)17-27(40-25)38-13-11-23(36)31(32,33)34;/h10-11,14-17,35-36H,18-19H2,1-9H3,(H,37,39)(H,38,40);/q-2;+2/b35-20+,36-23+;
InChIKeyOQQMBUJPTUUJQU-CQROBQGLSA-N
MW749.78 g/mol
LogP8.06
Rot. Bonds10

About 4-(2,2-dimethylpropyl)-6-[2-[4-(2,2-dimethylpropyl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-2-pyridinyl]propan-2-yl]-N-(3-iminobut-1-enyl)pyridin-2-amine;platinum(2+)

4-(2,2-dimethylpropyl)-6-[2-[4-(2,2-dimethylpropyl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-2-pyridinyl]propan-2-yl]-N-(3-iminobut-1-enyl)pyridin-2-amine;platinum(2+) (PubChem CID 58161815) has the molecular formula C31H41F3N6Pt and a molecular weight of 749.78 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-6-[2-[4-(2,2-dimethylpropyl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-2-pyridinyl]propan-2-yl]-N-(3-iminobut-1-enyl)pyridin-2-amine;platinum(2+).

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-6-[2-[4-(2,2-dimethylpropyl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-2-pyridinyl]propan-2-yl]-N-(3-iminobut-1-enyl)pyridin-2-amine;platinum(2+)
PubChem CID58161815
Molecular FormulaC31H41F3N6Pt
Molecular Weight749.78 g/mol
Exact Mass749.30
IUPAC Name4-(2,2-dimethylpropyl)-6-[2-[4-(2,2-dimethylpropyl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-2-pyridinyl]propan-2-yl]-N-(3-iminobut-1-enyl)pyridin-2-amine;platinum(2+)
SMILES[H]/N=C(C)/C=[C-]\Nc1cc(CC(C)(C)C)cc(C(C)(C)c2cc(CC(C)(C)C)cc(N/[C-]=C\C(=N/[H])C(F)(F)F)n2)n1.[Pt+2]
InChIInChI=1S/C31H41F3N6.Pt/c1-20(35)10-12-37-26-16-21(18-28(2,3)4)14-24(39-26)30(8,9)25-15-22(19-29(5,6)7)17-27(40-25)38-13-11-23(36)31(32,33)34;/h10-11,14-17,35-36H,18-19H2,1-9H3,(H,37,39)(H,38,40);/q-2;+2/b35-20+,36-23+;
InChIKeyOQQMBUJPTUUJQU-CQROBQGLSA-N
XLogP8.06
TPSA97.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.78
LogP ≤ 58.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-(2,2-dimethylpropyl)-6-[2-[4-(2,2-dimethylpropyl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-2-pyridinyl]propan-2-yl]-N-(3-iminobut-1-enyl)pyridin-2-amine;platinum(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-6-[2-[4-(2,2-dimethylpropyl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-2-pyridinyl]propan-2-yl]-N-(3-iminobut-1-enyl)pyridin-2-amine;platinum(2+)?
The IUPAC name of 4-(2,2-dimethylpropyl)-6-[2-[4-(2,2-dimethylpropyl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-2-pyridinyl]propan-2-yl]-N-(3-iminobut-1-enyl)pyridin-2-amine;platinum(2+) (CID 58161815) is 4-(2,2-dimethylpropyl)-6-[2-[4-(2,2-dimethylpropyl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-2-pyridinyl]propan-2-yl]-N-(3-iminobut-1-enyl)pyridin-2-amine;platinum(2+).
What is the SMILES notation for 4-(2,2-dimethylpropyl)-6-[2-[4-(2,2-dimethylpropyl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-2-pyridinyl]propan-2-yl]-N-(3-iminobut-1-enyl)pyridin-2-amine;platinum(2+)?
The canonical SMILES for 4-(2,2-dimethylpropyl)-6-[2-[4-(2,2-dimethylpropyl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-2-pyridinyl]propan-2-yl]-N-(3-iminobut-1-enyl)pyridin-2-amine;platinum(2+) is [H]/N=C(C)/C=[C-]\Nc1cc(CC(C)(C)C)cc(C(C)(C)c2cc(CC(C)(C)C)cc(N/[C-]=C\C(=N/[H])C(F)(F)F)n2)n1.[Pt+2].
What is the InChIKey of 4-(2,2-dimethylpropyl)-6-[2-[4-(2,2-dimethylpropyl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-2-pyridinyl]propan-2-yl]-N-(3-iminobut-1-enyl)pyridin-2-amine;platinum(2+)?
The InChIKey is OQQMBUJPTUUJQU-CQROBQGLSA-N. The full InChI is InChI=1S/C31H41F3N6.Pt/c1-20(35)10-12-37-26-16-21(18-28(2,3)4)14-24(39-26)30(8,9)25-15-22(19-29(5,6)7)17-27(40-25)38-13-11-23(36)31(32,33)34;/h10-11,14-17,35-36H,18-19H2,1-9H3,(H,37,39)(H,38,40);/q-2;+2/b35-20+,36-23+;.
What are the key properties of 4-(2,2-dimethylpropyl)-6-[2-[4-(2,2-dimethylpropyl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-2-pyridinyl]propan-2-yl]-N-(3-iminobut-1-enyl)pyridin-2-amine;platinum(2+)?
4-(2,2-dimethylpropyl)-6-[2-[4-(2,2-dimethylpropyl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-2-pyridinyl]propan-2-yl]-N-(3-iminobut-1-enyl)pyridin-2-amine;platinum(2+) has a molecular weight of 749.78 g/mol, XLogP of 8.06, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-6-[2-[4-(2,2-dimethylpropyl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-2-pyridinyl]propan-2-yl]-N-(3-iminobut-1-enyl)pyridin-2-amine;platinum(2+) is sourced from PubChem (CID 58161815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).