iridium;bis(2-naphthalen-1-yl-4-(trifluoromethyl)benzotriazole);1-[5-(trifluoromethyl)benzotriazol-2-yl]naphthalen-2-ol

C51H30F9IrN9O — CID 25032913

IUPACiridium;bis(2-naphthalen-1-yl-4-(trifluoromethyl)benzotriazole);1-[5-(trifluoromethyl)benzotriazol-2-yl]naphthalen-2-ol
SMILESFC(F)(F)c1cccc2nn(-c3cccc4ccccc34)nc12.FC(F)(F)c1cccc2nn(-c3cccc4ccccc34)nc12.Oc1ccc2ccccc2c1-n1nc2ccc(C(F)(F)F)cc2n1.[Ir]
InChIInChI=1S/C17H10F3N3O.2C17H10F3N3.Ir/c18-17(19,20)11-6-7-13-14(9-11)22-23(21-13)16-12-4-2-1-3-10(12)5-8-15(16)24;2*18-17(19,20)13-8-4-9-14-16(13)22-23(21-14)15-10-3-6-11-5-1-2-7-12(11)15;/h1-9,24H;2*1-10H;
InChIKeyIHRCPDMZGMIHBU-UHFFFAOYSA-N
MW1148.06 g/mol
LogP13.48
Rot. Bonds3

About iridium;bis(2-naphthalen-1-yl-4-(trifluoromethyl)benzotriazole);1-[5-(trifluoromethyl)benzotriazol-2-yl]naphthalen-2-ol

iridium;bis(2-naphthalen-1-yl-4-(trifluoromethyl)benzotriazole);1-[5-(trifluoromethyl)benzotriazol-2-yl]naphthalen-2-ol (PubChem CID 25032913) has the molecular formula C51H30F9IrN9O and a molecular weight of 1148.06 g/mol. Its IUPAC name is iridium;bis(2-naphthalen-1-yl-4-(trifluoromethyl)benzotriazole);1-[5-(trifluoromethyl)benzotriazol-2-yl]naphthalen-2-ol.

Molecular Properties

Compound Nameiridium;bis(2-naphthalen-1-yl-4-(trifluoromethyl)benzotriazole);1-[5-(trifluoromethyl)benzotriazol-2-yl]naphthalen-2-ol
PubChem CID25032913
Molecular FormulaC51H30F9IrN9O
Molecular Weight1148.06 g/mol
Exact Mass1148.21
IUPAC Nameiridium;bis(2-naphthalen-1-yl-4-(trifluoromethyl)benzotriazole);1-[5-(trifluoromethyl)benzotriazol-2-yl]naphthalen-2-ol
SMILESFC(F)(F)c1cccc2nn(-c3cccc4ccccc34)nc12.FC(F)(F)c1cccc2nn(-c3cccc4ccccc34)nc12.Oc1ccc2ccccc2c1-n1nc2ccc(C(F)(F)F)cc2n1.[Ir]
InChIInChI=1S/C17H10F3N3O.2C17H10F3N3.Ir/c18-17(19,20)11-6-7-13-14(9-11)22-23(21-13)16-12-4-2-1-3-10(12)5-8-15(16)24;2*18-17(19,20)13-8-4-9-14-16(13)22-23(21-14)15-10-3-6-11-5-1-2-7-12(11)15;/h1-9,24H;2*1-10H;
InChIKeyIHRCPDMZGMIHBU-UHFFFAOYSA-N
XLogP13.48
TPSA112.36 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001148.06
LogP ≤ 513.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of iridium;bis(2-naphthalen-1-yl-4-(trifluoromethyl)benzotriazole);1-[5-(trifluoromethyl)benzotriazol-2-yl]naphthalen-2-ol?
The IUPAC name of iridium;bis(2-naphthalen-1-yl-4-(trifluoromethyl)benzotriazole);1-[5-(trifluoromethyl)benzotriazol-2-yl]naphthalen-2-ol (CID 25032913) is iridium;bis(2-naphthalen-1-yl-4-(trifluoromethyl)benzotriazole);1-[5-(trifluoromethyl)benzotriazol-2-yl]naphthalen-2-ol.
What is the SMILES notation for iridium;bis(2-naphthalen-1-yl-4-(trifluoromethyl)benzotriazole);1-[5-(trifluoromethyl)benzotriazol-2-yl]naphthalen-2-ol?
The canonical SMILES for iridium;bis(2-naphthalen-1-yl-4-(trifluoromethyl)benzotriazole);1-[5-(trifluoromethyl)benzotriazol-2-yl]naphthalen-2-ol is FC(F)(F)c1cccc2nn(-c3cccc4ccccc34)nc12.FC(F)(F)c1cccc2nn(-c3cccc4ccccc34)nc12.Oc1ccc2ccccc2c1-n1nc2ccc(C(F)(F)F)cc2n1.[Ir].
What is the InChIKey of iridium;bis(2-naphthalen-1-yl-4-(trifluoromethyl)benzotriazole);1-[5-(trifluoromethyl)benzotriazol-2-yl]naphthalen-2-ol?
The InChIKey is IHRCPDMZGMIHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3O.2C17H10F3N3.Ir/c18-17(19,20)11-6-7-13-14(9-11)22-23(21-13)16-12-4-2-1-3-10(12)5-8-15(16)24;2*18-17(19,20)13-8-4-9-14-16(13)22-23(21-14)15-10-3-6-11-5-1-2-7-12(11)15;/h1-9,24H;2*1-10H;.
What are the key properties of iridium;bis(2-naphthalen-1-yl-4-(trifluoromethyl)benzotriazole);1-[5-(trifluoromethyl)benzotriazol-2-yl]naphthalen-2-ol?
iridium;bis(2-naphthalen-1-yl-4-(trifluoromethyl)benzotriazole);1-[5-(trifluoromethyl)benzotriazol-2-yl]naphthalen-2-ol has a molecular weight of 1148.06 g/mol, XLogP of 13.48, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;bis(2-naphthalen-1-yl-4-(trifluoromethyl)benzotriazole);1-[5-(trifluoromethyl)benzotriazol-2-yl]naphthalen-2-ol is sourced from PubChem (CID 25032913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).