azanide;chloroplatinum;cyclohexylcarbamic acid;methane;phenanthridine

C28H43ClN5O4Pt-2 — CID 158605850

IUPACazanide;chloroplatinum;cyclohexylcarbamic acid;methane;phenanthridine
SMILESC.Cl[Pt].O=C(O)NC1CCCCC1.O=C(O)NC1CCCCC1.[NH2-].[NH2-].c1ccc2c(c1)cnc1ccccc12
InChIInChI=1S/C13H9N.2C7H13NO2.CH4.ClH.2H2N.Pt/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;2*9-7(10)8-6-4-2-1-3-5-6;;;;;/h1-9H;2*6,8H,1-5H2,(H,9,10);1H4;1H;2*1H2;/q;;;;;2*-1;+1/p-1
InChIKeySLOYQTUZUNSDPO-UHFFFAOYSA-M
MW744.21 g/mol
LogP9.32
Rot. Bonds2

About azanide;chloroplatinum;cyclohexylcarbamic acid;methane;phenanthridine

azanide;chloroplatinum;cyclohexylcarbamic acid;methane;phenanthridine (PubChem CID 158605850) has the molecular formula C28H43ClN5O4Pt-2 and a molecular weight of 744.21 g/mol. Its IUPAC name is azanide;chloroplatinum;cyclohexylcarbamic acid;methane;phenanthridine.

Molecular Properties

Compound Nameazanide;chloroplatinum;cyclohexylcarbamic acid;methane;phenanthridine
PubChem CID158605850
Molecular FormulaC28H43ClN5O4Pt-2
Molecular Weight744.21 g/mol
Exact Mass743.27
IUPAC Nameazanide;chloroplatinum;cyclohexylcarbamic acid;methane;phenanthridine
SMILESC.Cl[Pt].O=C(O)NC1CCCCC1.O=C(O)NC1CCCCC1.[NH2-].[NH2-].c1ccc2c(c1)cnc1ccccc12
InChIInChI=1S/C13H9N.2C7H13NO2.CH4.ClH.2H2N.Pt/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;2*9-7(10)8-6-4-2-1-3-5-6;;;;;/h1-9H;2*6,8H,1-5H2,(H,9,10);1H4;1H;2*1H2;/q;;;;;2*-1;+1/p-1
InChIKeySLOYQTUZUNSDPO-UHFFFAOYSA-M
XLogP9.32
TPSA178.55 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.21
LogP ≤ 59.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

phenanthridine
CID 9189
N-cyclooctylquinoxaline-2-carboxamide
CID 22136387
N-cycloheptyl-2-methylquinazoline-4-carboxamide
CID 110702850
phenanthridine;platinum(2+)
CID 23616726
2-amino-N-cyclohexylquinazoline-4-carboxamide
CID 24749596
N-cycloheptylcinnoline-3-carboxamide
CID 110705102
N-cyclooctyl-3-methyl-2-phenylquinoline-4-carboxamide
CID 4122728
cyclohexylcarbamic acid;hydrate
CID 172719994
N-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757634
N-cyclohexyl-4-methylquinazolin-2-amine
CID 118714792
N-(4-cyclononylquinolin-3-yl)cyclodecapentaenecarboxamide
CID 126486274
N-cycloheptyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxamide
CID 2451567

Frequently Asked Questions

What is the IUPAC name of azanide;chloroplatinum;cyclohexylcarbamic acid;methane;phenanthridine?
The IUPAC name of azanide;chloroplatinum;cyclohexylcarbamic acid;methane;phenanthridine (CID 158605850) is azanide;chloroplatinum;cyclohexylcarbamic acid;methane;phenanthridine.
What is the SMILES notation for azanide;chloroplatinum;cyclohexylcarbamic acid;methane;phenanthridine?
The canonical SMILES for azanide;chloroplatinum;cyclohexylcarbamic acid;methane;phenanthridine is C.Cl[Pt].O=C(O)NC1CCCCC1.O=C(O)NC1CCCCC1.[NH2-].[NH2-].c1ccc2c(c1)cnc1ccccc12.
What is the InChIKey of azanide;chloroplatinum;cyclohexylcarbamic acid;methane;phenanthridine?
The InChIKey is SLOYQTUZUNSDPO-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H9N.2C7H13NO2.CH4.ClH.2H2N.Pt/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;2*9-7(10)8-6-4-2-1-3-5-6;;;;;/h1-9H;2*6,8H,1-5H2,(H,9,10);1H4;1H;2*1H2;/q;;;;;2*-1;+1/p-1.
What are the key properties of azanide;chloroplatinum;cyclohexylcarbamic acid;methane;phenanthridine?
azanide;chloroplatinum;cyclohexylcarbamic acid;methane;phenanthridine has a molecular weight of 744.21 g/mol, XLogP of 9.32, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;chloroplatinum;cyclohexylcarbamic acid;methane;phenanthridine is sourced from PubChem (CID 158605850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).