ISDA: 5HHI

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: 61C

IUPAC Name: diammine[2-(9H-carbazol-9-yl)ethan-1-amine-kappaN]chloridoplatinum

Formal Charge: ?

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: c1ccc2c(c1)[nH]c1ccccc12

InChI: InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H

InChI Key: UJOBWOGCFQCDNV-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C14 H20 Cl N4 Pt

Molecular weight: 474.866

Hydrogen Bond Acceptor: 4

Hydrogen Bond Donor: 3

Rotatable Bonds: 3

Heavy Atoms: 20

Systematic name

Program	Version	Descriptor
ACDLabs	14.52	diammine[2-(9H-carbazol-9-yl)ethan-1-amine-kappaN]chloridoplatinum
OpenEye OEToolkits	3.1.0.0	(2-carbazol-9-ylethyl-$l^{4}-azanyl)-chloranyl-bis($l^{4}-azanyl)platinum

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Cl[Pt]([NH3])([NH3])[NH2]CCn1c2ccccc2c2ccccc21
InChI	InChI	1.06	InChI=1S/C14H14N2.ClH.2H3N.Pt/c15-9-10-16-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16;;;;/h1-8H,9-10,15H2;1H;2*1H3;/q;;;;+1/p-1
InChIKey	InChI	1.06	GTMNWZLAVFNADP-UHFFFAOYSA-M
SMILES_CANONICAL	CACTVS	3.385	N.N.NCCn1c2ccccc2c3ccccc13.Cl[Pt]
SMILES	CACTVS	3.385	N.N.NCCn1c2ccccc2c3ccccc13.Cl[Pt]
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	c1ccc2c(c1)c3ccccc3n2CC[NH2][Pt]([NH3])([NH3])Cl
SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc2c(c1)c3ccccc3n2CC[NH2][Pt]([NH3])([NH3])Cl