iridium;1-methyl-2,9-dihydrocarbazol-2-ide

C13H10IrN- — CID 59806664

IUPACiridium;1-methyl-2,9-dihydrocarbazol-2-ide
SMILESCc1[c-]ccc2c1[nH]c1ccccc12.[Ir]
InChIInChI=1S/C13H10N.Ir/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;/h2-4,6-8,14H,1H3;/q-1;
InChIKeyGBGVDFTUMIONOK-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.43
Rot. Bonds

About iridium;1-methyl-2,9-dihydrocarbazol-2-ide

iridium;1-methyl-2,9-dihydrocarbazol-2-ide (PubChem CID 59806664) has the molecular formula C13H10IrN- and a molecular weight of 372.45 g/mol. Its IUPAC name is iridium;1-methyl-2,9-dihydrocarbazol-2-ide.

Molecular Properties

Compound Nameiridium;1-methyl-2,9-dihydrocarbazol-2-ide
PubChem CID59806664
Molecular FormulaC13H10IrN-
Molecular Weight372.45 g/mol
Exact Mass373.04
IUPAC Nameiridium;1-methyl-2,9-dihydrocarbazol-2-ide
SMILESCc1[c-]ccc2c1[nH]c1ccccc12.[Ir]
InChIInChI=1S/C13H10N.Ir/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;/h2-4,6-8,14H,1H3;/q-1;
InChIKeyGBGVDFTUMIONOK-UHFFFAOYSA-N
XLogP3.43
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-methyl-9H-carbazole
CID 154342995
5-methyl-11H-benzo[a]carbazole
CID 6454977
azane;1,2-dimethyl-9H-carbazole
CID 174760951
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole;ethane
CID 91098062
9H-carbazole
CID 66668984
2,3-dimethyl-10H-thieno[2,3-a]carbazole
CID 144848398
2-methyl-1-(trifluoromethyl)-9H-carbazole
CID 173176935
1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium
CID 11199472
bromomethane;9H-carbazole
CID 67594562
9H-carbazole;copper
CID 159878189

Frequently Asked Questions

What is the IUPAC name of iridium;1-methyl-2,9-dihydrocarbazol-2-ide?
The IUPAC name of iridium;1-methyl-2,9-dihydrocarbazol-2-ide (CID 59806664) is iridium;1-methyl-2,9-dihydrocarbazol-2-ide.
What is the SMILES notation for iridium;1-methyl-2,9-dihydrocarbazol-2-ide?
The canonical SMILES for iridium;1-methyl-2,9-dihydrocarbazol-2-ide is Cc1[c-]ccc2c1[nH]c1ccccc12.[Ir].
What is the InChIKey of iridium;1-methyl-2,9-dihydrocarbazol-2-ide?
The InChIKey is GBGVDFTUMIONOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N.Ir/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;/h2-4,6-8,14H,1H3;/q-1;.
What are the key properties of iridium;1-methyl-2,9-dihydrocarbazol-2-ide?
iridium;1-methyl-2,9-dihydrocarbazol-2-ide has a molecular weight of 372.45 g/mol, XLogP of 3.43, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-methyl-2,9-dihydrocarbazol-2-ide is sourced from PubChem (CID 59806664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).