7-(2,6-dimethylphenyl)-2-methyl-4H-phenanthro[9,10-d][1,3]thiazol-4-ide;iridium

C24H18IrNS- — CID 59358927

IUPAC7-(2,6-dimethylphenyl)-2-methyl-4H-phenanthro[9,10-d][1,3]thiazol-4-ide;iridium
SMILESCc1nc2c3[c-]ccc(-c4c(C)cccc4C)c3c3ccccc3c2s1.[Ir]
InChIInChI=1S/C24H18NS.Ir/c1-14-8-6-9-15(2)21(14)19-12-7-13-20-22(19)17-10-4-5-11-18(17)24-23(20)25-16(3)26-24;/h4-12H,1-3H3;/q-1;
InChIKeyPAWIBBTUKMEPST-UHFFFAOYSA-N
MW544.70 g/mol
LogP6.99
Rot. Bonds1

About 7-(2,6-dimethylphenyl)-2-methyl-4H-phenanthro[9,10-d][1,3]thiazol-4-ide;iridium

7-(2,6-dimethylphenyl)-2-methyl-4H-phenanthro[9,10-d][1,3]thiazol-4-ide;iridium (PubChem CID 59358927) has the molecular formula C24H18IrNS- and a molecular weight of 544.70 g/mol. Its IUPAC name is 7-(2,6-dimethylphenyl)-2-methyl-4H-phenanthro[9,10-d][1,3]thiazol-4-ide;iridium.

Molecular Properties

Compound Name7-(2,6-dimethylphenyl)-2-methyl-4H-phenanthro[9,10-d][1,3]thiazol-4-ide;iridium
PubChem CID59358927
Molecular FormulaC24H18IrNS-
Molecular Weight544.70 g/mol
Exact Mass545.08
IUPAC Name7-(2,6-dimethylphenyl)-2-methyl-4H-phenanthro[9,10-d][1,3]thiazol-4-ide;iridium
SMILESCc1nc2c3[c-]ccc(-c4c(C)cccc4C)c3c3ccccc3c2s1.[Ir]
InChIInChI=1S/C24H18NS.Ir/c1-14-8-6-9-15(2)21(14)19-12-7-13-20-22(19)17-10-4-5-11-18(17)24-23(20)25-16(3)26-24;/h4-12H,1-3H3;/q-1;
InChIKeyPAWIBBTUKMEPST-UHFFFAOYSA-N
XLogP6.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.70
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2,6-dimethylphenyl)-10H-benzo[h]quinolin-10-ide;iridium
CID 140719040
9-(2,6-dimethylphenyl)-2-(3,5-dimethylpyrazol-1-yl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 59358812
lawrencium;methanidyl-(2-methyl-9H-benzo[e][1,3]benzothiazol-9-id-5-yl)azanium
CID 88971383
4,6-dimethyldibenzothiophene
CID 161055331
4-chloro-2,8-dimethylquinazoline
CID 71721381
5-(4-chloro-8-methylquinazolin-2-yl)-2,4-dimethyl-1,3-thiazole
CID 114034043
6,9-bis(2,6-dimethylphenyl)-20,23-diphenyloctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1,3,5,7,9,11,13,15(30),16,18(29),19,21,23,25,27-pentadecaene
CID 123260082
CID 164815167
CID 164815167
4-chloro-8-methylquinazolin-2-amine
CID 10035504
32-(2,6-dimethylphenyl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2(20),3,5,7(17),8,10,12(34),13,15,18,21,23,25,27,29(33),30-heptadecaene
CID 123316224
2-(2,6-dimethylphenyl)-7,8-dimethyl-[1]benzothiolo[2,3-b]pyridine
CID 167673296
4-(2,6-dimethylphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 131867670

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dimethylphenyl)-2-methyl-4H-phenanthro[9,10-d][1,3]thiazol-4-ide;iridium?
The IUPAC name of 7-(2,6-dimethylphenyl)-2-methyl-4H-phenanthro[9,10-d][1,3]thiazol-4-ide;iridium (CID 59358927) is 7-(2,6-dimethylphenyl)-2-methyl-4H-phenanthro[9,10-d][1,3]thiazol-4-ide;iridium.
What is the SMILES notation for 7-(2,6-dimethylphenyl)-2-methyl-4H-phenanthro[9,10-d][1,3]thiazol-4-ide;iridium?
The canonical SMILES for 7-(2,6-dimethylphenyl)-2-methyl-4H-phenanthro[9,10-d][1,3]thiazol-4-ide;iridium is Cc1nc2c3[c-]ccc(-c4c(C)cccc4C)c3c3ccccc3c2s1.[Ir].
What is the InChIKey of 7-(2,6-dimethylphenyl)-2-methyl-4H-phenanthro[9,10-d][1,3]thiazol-4-ide;iridium?
The InChIKey is PAWIBBTUKMEPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18NS.Ir/c1-14-8-6-9-15(2)21(14)19-12-7-13-20-22(19)17-10-4-5-11-18(17)24-23(20)25-16(3)26-24;/h4-12H,1-3H3;/q-1;.
What are the key properties of 7-(2,6-dimethylphenyl)-2-methyl-4H-phenanthro[9,10-d][1,3]thiazol-4-ide;iridium?
7-(2,6-dimethylphenyl)-2-methyl-4H-phenanthro[9,10-d][1,3]thiazol-4-ide;iridium has a molecular weight of 544.70 g/mol, XLogP of 6.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dimethylphenyl)-2-methyl-4H-phenanthro[9,10-d][1,3]thiazol-4-ide;iridium is sourced from PubChem (CID 59358927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).