N'-(anthracen-9-ylmethyl)propane-1,3-diamine;platinum(2+);2-pyridin-2-ylpyridine;dichloride

C28H28Cl2N4Pt — CID 11342924

IUPACN'-(anthracen-9-ylmethyl)propane-1,3-diamine;platinum(2+);2-pyridin-2-ylpyridine;dichloride
SMILESNCCCNCc1c2ccccc2cc2ccccc12.[Cl-].[Cl-].[Pt+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C18H20N2.C10H8N2.2ClH.Pt/c19-10-5-11-20-13-18-16-8-3-1-6-14(16)12-15-7-2-4-9-17(15)18;1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h1-4,6-9,12,20H,5,10-11,13,19H2;1-8H;2*1H;/q;;;;+2/p-2
InChIKeyNMSULMUQVRIATF-UHFFFAOYSA-L
MW686.54 g/mol
LogP-0.42
Rot. Bonds6

About N'-(anthracen-9-ylmethyl)propane-1,3-diamine;platinum(2+);2-pyridin-2-ylpyridine;dichloride

N'-(anthracen-9-ylmethyl)propane-1,3-diamine;platinum(2+);2-pyridin-2-ylpyridine;dichloride (PubChem CID 11342924) has the molecular formula C28H28Cl2N4Pt and a molecular weight of 686.54 g/mol. Its IUPAC name is N'-(anthracen-9-ylmethyl)propane-1,3-diamine;platinum(2+);2-pyridin-2-ylpyridine;dichloride.

Molecular Properties

Compound NameN'-(anthracen-9-ylmethyl)propane-1,3-diamine;platinum(2+);2-pyridin-2-ylpyridine;dichloride
PubChem CID11342924
Molecular FormulaC28H28Cl2N4Pt
Molecular Weight686.54 g/mol
Exact Mass685.13
IUPAC NameN'-(anthracen-9-ylmethyl)propane-1,3-diamine;platinum(2+);2-pyridin-2-ylpyridine;dichloride
SMILESNCCCNCc1c2ccccc2cc2ccccc12.[Cl-].[Cl-].[Pt+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C18H20N2.C10H8N2.2ClH.Pt/c19-10-5-11-20-13-18-16-8-3-1-6-14(16)12-15-7-2-4-9-17(15)18;1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h1-4,6-9,12,20H,5,10-11,13,19H2;1-8H;2*1H;/q;;;;+2/p-2
InChIKeyNMSULMUQVRIATF-UHFFFAOYSA-L
XLogP-0.42
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500686.54
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(anthracen-9-ylmethyl)propane-1,3-diamine;platinum(2+);2-pyridin-2-ylpyridine;dichloride?
The IUPAC name of N'-(anthracen-9-ylmethyl)propane-1,3-diamine;platinum(2+);2-pyridin-2-ylpyridine;dichloride (CID 11342924) is N'-(anthracen-9-ylmethyl)propane-1,3-diamine;platinum(2+);2-pyridin-2-ylpyridine;dichloride.
What is the SMILES notation for N'-(anthracen-9-ylmethyl)propane-1,3-diamine;platinum(2+);2-pyridin-2-ylpyridine;dichloride?
The canonical SMILES for N'-(anthracen-9-ylmethyl)propane-1,3-diamine;platinum(2+);2-pyridin-2-ylpyridine;dichloride is NCCCNCc1c2ccccc2cc2ccccc12.[Cl-].[Cl-].[Pt+2].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of N'-(anthracen-9-ylmethyl)propane-1,3-diamine;platinum(2+);2-pyridin-2-ylpyridine;dichloride?
The InChIKey is NMSULMUQVRIATF-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H20N2.C10H8N2.2ClH.Pt/c19-10-5-11-20-13-18-16-8-3-1-6-14(16)12-15-7-2-4-9-17(15)18;1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h1-4,6-9,12,20H,5,10-11,13,19H2;1-8H;2*1H;/q;;;;+2/p-2.
What are the key properties of N'-(anthracen-9-ylmethyl)propane-1,3-diamine;platinum(2+);2-pyridin-2-ylpyridine;dichloride?
N'-(anthracen-9-ylmethyl)propane-1,3-diamine;platinum(2+);2-pyridin-2-ylpyridine;dichloride has a molecular weight of 686.54 g/mol, XLogP of -0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(anthracen-9-ylmethyl)propane-1,3-diamine;platinum(2+);2-pyridin-2-ylpyridine;dichloride is sourced from PubChem (CID 11342924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).