tetrakis(iridium);2-phenylphenanthro[9,10-d]pyrimidine;bis(2-phenylquinazoline);bis(4-phenylquinazoline);bis(rhodium);2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline

C93H57F3Ir4N12Rh2-6 — CID 158709209

IUPACtetrakis(iridium);2-phenylphenanthro[9,10-d]pyrimidine;bis(2-phenylquinazoline);bis(4-phenylquinazoline);bis(rhodium);2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline
SMILESFC(F)(F)c1c[c-]c(-c2ncc3ccccc3n2)cc1.[Ir].[Ir].[Ir].[Ir].[Rh].[Rh].[c-]1ccccc1-c1ncc2c3ccccc3c3ccccc3c2n1.[c-]1ccccc1-c1ncc2ccccc2n1.[c-]1ccccc1-c1ncc2ccccc2n1.[c-]1ccccc1-c1ncnc2ccccc12.[c-]1ccccc1-c1ncnc2ccccc12
InChIInChI=1S/C22H13N2.C15H8F3N2.4C14H9N2.4Ir.2Rh/c1-2-8-15(9-3-1)22-23-14-20-18-12-5-4-10-16(18)17-11-6-7-13-19(17)21(20)24-22;16-15(17,18)12-7-5-10(6-8-12)14-19-9-11-3-1-2-4-13(11)20-14;2*1-2-6-11(7-3-1)14-12-8-4-5-9-13(12)15-10-16-14;2*1-2-6-11(7-3-1)14-15-10-12-8-4-5-9-13(12)16-14;;;;;;/h1-8,10-14H;1-5,7-9H;4*1-6,8-10H;;;;;;/q6*-1;;;;;;
InChIKeyWFYNJXJACITPPB-UHFFFAOYSA-N
MW2374.24 g/mol
LogP21.89
Rot. Bonds6

About tetrakis(iridium);2-phenylphenanthro[9,10-d]pyrimidine;bis(2-phenylquinazoline);bis(4-phenylquinazoline);bis(rhodium);2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline

tetrakis(iridium);2-phenylphenanthro[9,10-d]pyrimidine;bis(2-phenylquinazoline);bis(4-phenylquinazoline);bis(rhodium);2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline (PubChem CID 158709209) has the molecular formula C93H57F3Ir4N12Rh2-6 and a molecular weight of 2374.24 g/mol. Its IUPAC name is tetrakis(iridium);2-phenylphenanthro[9,10-d]pyrimidine;bis(2-phenylquinazoline);bis(4-phenylquinazoline);bis(rhodium);2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline.

Molecular Properties

Compound Nametetrakis(iridium);2-phenylphenanthro[9,10-d]pyrimidine;bis(2-phenylquinazoline);bis(4-phenylquinazoline);bis(rhodium);2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline
PubChem CID158709209
Molecular FormulaC93H57F3Ir4N12Rh2-6
Molecular Weight2374.24 g/mol
Exact Mass2376.14
IUPAC Nametetrakis(iridium);2-phenylphenanthro[9,10-d]pyrimidine;bis(2-phenylquinazoline);bis(4-phenylquinazoline);bis(rhodium);2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline
SMILESFC(F)(F)c1c[c-]c(-c2ncc3ccccc3n2)cc1.[Ir].[Ir].[Ir].[Ir].[Rh].[Rh].[c-]1ccccc1-c1ncc2c3ccccc3c3ccccc3c2n1.[c-]1ccccc1-c1ncc2ccccc2n1.[c-]1ccccc1-c1ncc2ccccc2n1.[c-]1ccccc1-c1ncnc2ccccc12.[c-]1ccccc1-c1ncnc2ccccc12
InChIInChI=1S/C22H13N2.C15H8F3N2.4C14H9N2.4Ir.2Rh/c1-2-8-15(9-3-1)22-23-14-20-18-12-5-4-10-16(18)17-11-6-7-13-19(17)21(20)24-22;16-15(17,18)12-7-5-10(6-8-12)14-19-9-11-3-1-2-4-13(11)20-14;2*1-2-6-11(7-3-1)14-12-8-4-5-9-13(12)15-10-16-14;2*1-2-6-11(7-3-1)14-15-10-12-8-4-5-9-13(12)16-14;;;;;;/h1-8,10-14H;1-5,7-9H;4*1-6,8-10H;;;;;;/q6*-1;;;;;;
InChIKeyWFYNJXJACITPPB-UHFFFAOYSA-N
XLogP21.89
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002374.24
LogP ≤ 521.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

7,18-Bis(1,1,2,2,3,3,3-heptafluoropropyl)-10,15,21,25-tetrapyridin-3-yl-6,8,17,19-tetrazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),6,8,10,12,14,16,18,20,23-tridecaene;oxolane
CID 139184536
9-[4-[3-[6-Phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-3,6-dipyridin-2-ylcarbazole
CID 67949352
5-Phenyl-7-[4-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]pyridin-2-yl]-3-(trifluoromethyl)indolo[2,3-b]carbazole
CID 68082641
9,23-Bis[3-methyl-5-(trifluoromethyl)phenyl]-7,9,21,23-tetrazaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3(8),4,6,11,13,15(30),16(24),17(22),18,20,25,27-tetradecaene
CID 89308898
CID 89309822
CID 89309822
6-[3-[4-(7-Fluorophenanthren-2-yl)-6-pyridin-3-yl-2-pyridinyl]phenyl]-9-pyridin-4-ylpyrido[2,3-b]indole
CID 89889188
9-[4-(4-Naphthalen-1-ylphenyl)quinazolin-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]carbazole
CID 90062659
7-(3,10-Diphenylpyrrolo[3,2-a]carbazol-7-yl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole
CID 90183058
7-[9-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]-3,10-diphenylpyrrolo[3,2-a]carbazole
CID 90183108
10-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole
CID 90183114
2-[2-Fluoro-4-[3-[3-(4-naphthalen-1-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149510
3-(9-Phenylcarbazol-3-yl)-9-[3-[4-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenyl]carbazole
CID 118259458

Frequently Asked Questions

What is the IUPAC name of tetrakis(iridium);2-phenylphenanthro[9,10-d]pyrimidine;bis(2-phenylquinazoline);bis(4-phenylquinazoline);bis(rhodium);2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline?
The IUPAC name of tetrakis(iridium);2-phenylphenanthro[9,10-d]pyrimidine;bis(2-phenylquinazoline);bis(4-phenylquinazoline);bis(rhodium);2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline (CID 158709209) is tetrakis(iridium);2-phenylphenanthro[9,10-d]pyrimidine;bis(2-phenylquinazoline);bis(4-phenylquinazoline);bis(rhodium);2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline.
What is the SMILES notation for tetrakis(iridium);2-phenylphenanthro[9,10-d]pyrimidine;bis(2-phenylquinazoline);bis(4-phenylquinazoline);bis(rhodium);2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline?
The canonical SMILES for tetrakis(iridium);2-phenylphenanthro[9,10-d]pyrimidine;bis(2-phenylquinazoline);bis(4-phenylquinazoline);bis(rhodium);2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline is FC(F)(F)c1c[c-]c(-c2ncc3ccccc3n2)cc1.[Ir].[Ir].[Ir].[Ir].[Rh].[Rh].[c-]1ccccc1-c1ncc2c3ccccc3c3ccccc3c2n1.[c-]1ccccc1-c1ncc2ccccc2n1.[c-]1ccccc1-c1ncc2ccccc2n1.[c-]1ccccc1-c1ncnc2ccccc12.[c-]1ccccc1-c1ncnc2ccccc12.
What is the InChIKey of tetrakis(iridium);2-phenylphenanthro[9,10-d]pyrimidine;bis(2-phenylquinazoline);bis(4-phenylquinazoline);bis(rhodium);2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline?
The InChIKey is WFYNJXJACITPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13N2.C15H8F3N2.4C14H9N2.4Ir.2Rh/c1-2-8-15(9-3-1)22-23-14-20-18-12-5-4-10-16(18)17-11-6-7-13-19(17)21(20)24-22;16-15(17,18)12-7-5-10(6-8-12)14-19-9-11-3-1-2-4-13(11)20-14;2*1-2-6-11(7-3-1)14-12-8-4-5-9-13(12)15-10-16-14;2*1-2-6-11(7-3-1)14-15-10-12-8-4-5-9-13(12)16-14;;;;;;/h1-8,10-14H;1-5,7-9H;4*1-6,8-10H;;;;;;/q6*-1;;;;;;.
What are the key properties of tetrakis(iridium);2-phenylphenanthro[9,10-d]pyrimidine;bis(2-phenylquinazoline);bis(4-phenylquinazoline);bis(rhodium);2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline?
tetrakis(iridium);2-phenylphenanthro[9,10-d]pyrimidine;bis(2-phenylquinazoline);bis(4-phenylquinazoline);bis(rhodium);2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline has a molecular weight of 2374.24 g/mol, XLogP of 21.89, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(iridium);2-phenylphenanthro[9,10-d]pyrimidine;bis(2-phenylquinazoline);bis(4-phenylquinazoline);bis(rhodium);2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinazoline is sourced from PubChem (CID 158709209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).