2-(6-chloro-9H-fluoren-2-yl)propanoic acid;chloroplatinum;(2-methanidylcyclohexyl)azanide

C23H26Cl2NO2Pt-2 — CID 159571197

IUPAC2-(6-chloro-9H-fluoren-2-yl)propanoic acid;chloroplatinum;(2-methanidylcyclohexyl)azanide
SMILESCC(C(=O)O)c1ccc2c(c1)Cc1ccc(Cl)cc1-2.Cl[Pt].[CH2-]C1CCCCC1[NH-]
InChIInChI=1S/C16H13ClO2.C7H13N.ClH.Pt/c1-9(16(18)19)10-3-5-14-12(6-10)7-11-2-4-13(17)8-15(11)14;1-6-4-2-3-5-7(6)8;;/h2-6,8-9H,7H2,1H3,(H,18,19);6-8H,1-5H2;1H;/q;-2;;+1/p-1
InChIKeyDSTVNKTUKJLIBV-UHFFFAOYSA-M
MW614.45 g/mol
LogP7.22
Rot. Bonds2

About 2-(6-chloro-9H-fluoren-2-yl)propanoic acid;chloroplatinum;(2-methanidylcyclohexyl)azanide

2-(6-chloro-9H-fluoren-2-yl)propanoic acid;chloroplatinum;(2-methanidylcyclohexyl)azanide (PubChem CID 159571197) has the molecular formula C23H26Cl2NO2Pt-2 and a molecular weight of 614.45 g/mol. Its IUPAC name is 2-(6-chloro-9H-fluoren-2-yl)propanoic acid;chloroplatinum;(2-methanidylcyclohexyl)azanide.

Molecular Properties

Compound Name2-(6-chloro-9H-fluoren-2-yl)propanoic acid;chloroplatinum;(2-methanidylcyclohexyl)azanide
PubChem CID159571197
Molecular FormulaC23H26Cl2NO2Pt-2
Molecular Weight614.45 g/mol
Exact Mass613.10
IUPAC Name2-(6-chloro-9H-fluoren-2-yl)propanoic acid;chloroplatinum;(2-methanidylcyclohexyl)azanide
SMILESCC(C(=O)O)c1ccc2c(c1)Cc1ccc(Cl)cc1-2.Cl[Pt].[CH2-]C1CCCCC1[NH-]
InChIInChI=1S/C16H13ClO2.C7H13N.ClH.Pt/c1-9(16(18)19)10-3-5-14-12(6-10)7-11-2-4-13(17)8-15(11)14;1-6-4-2-3-5-7(6)8;;/h2-6,8-9H,7H2,1H3,(H,18,19);6-8H,1-5H2;1H;/q;-2;;+1/p-1
InChIKeyDSTVNKTUKJLIBV-UHFFFAOYSA-M
XLogP7.22
TPSA61.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.45
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-9H-fluoren-2-yl)propanoic acid;chloroplatinum;(2-methanidylcyclohexyl)azanide?
The IUPAC name of 2-(6-chloro-9H-fluoren-2-yl)propanoic acid;chloroplatinum;(2-methanidylcyclohexyl)azanide (CID 159571197) is 2-(6-chloro-9H-fluoren-2-yl)propanoic acid;chloroplatinum;(2-methanidylcyclohexyl)azanide.
What is the SMILES notation for 2-(6-chloro-9H-fluoren-2-yl)propanoic acid;chloroplatinum;(2-methanidylcyclohexyl)azanide?
The canonical SMILES for 2-(6-chloro-9H-fluoren-2-yl)propanoic acid;chloroplatinum;(2-methanidylcyclohexyl)azanide is CC(C(=O)O)c1ccc2c(c1)Cc1ccc(Cl)cc1-2.Cl[Pt].[CH2-]C1CCCCC1[NH-].
What is the InChIKey of 2-(6-chloro-9H-fluoren-2-yl)propanoic acid;chloroplatinum;(2-methanidylcyclohexyl)azanide?
The InChIKey is DSTVNKTUKJLIBV-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H13ClO2.C7H13N.ClH.Pt/c1-9(16(18)19)10-3-5-14-12(6-10)7-11-2-4-13(17)8-15(11)14;1-6-4-2-3-5-7(6)8;;/h2-6,8-9H,7H2,1H3,(H,18,19);6-8H,1-5H2;1H;/q;-2;;+1/p-1.
What are the key properties of 2-(6-chloro-9H-fluoren-2-yl)propanoic acid;chloroplatinum;(2-methanidylcyclohexyl)azanide?
2-(6-chloro-9H-fluoren-2-yl)propanoic acid;chloroplatinum;(2-methanidylcyclohexyl)azanide has a molecular weight of 614.45 g/mol, XLogP of 7.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-9H-fluoren-2-yl)propanoic acid;chloroplatinum;(2-methanidylcyclohexyl)azanide is sourced from PubChem (CID 159571197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).