4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2-cyclopentyl-4-methylthiophen-3-yl)pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[5-[4-(2,2-dimethylpropyl)phenyl]-2-methylthiophen-3-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[2-methyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]pyrimidine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium)

C131H160F3Ir3N6O6S3-3 — CID 157093504

IUPAC4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2-cyclopentyl-4-methylthiophen-3-yl)pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[5-[4-(2,2-dimethylpropyl)phenyl]-2-methylthiophen-3-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[2-methyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]pyrimidine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium)
SMILESCCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1csc(C2CCCC2)c1-c1cc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)ncn1.Cc1sc(-c2ccc(CC(C)(C)C)cc2)cc1-c1cc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)ncn1.Cc1sc(-c2cccc(C(F)(F)F)c2)cc1-c1cc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)ncn1.[Ir].[Ir].[Ir]
InChIInChI=1S/C34H35N2S.C30H24F3N2S.C28H29N2S.3C13H24O2.3Ir/c1-22-28(18-32(37-22)24-14-12-23(13-15-24)20-33(2,3)4)31-19-30(35-21-36-31)26-16-25-10-8-9-11-27(25)29(17-26)34(5,6)7;1-18-24(15-28(36-18)20-9-7-10-22(13-20)30(31,32)33)27-16-26(34-17-35-27)21-12-19-8-5-6-11-23(19)25(14-21)29(2,3)4;1-18-16-31-27(19-9-5-6-10-19)26(18)25-15-24(29-17-30-25)21-13-20-11-7-8-12-22(20)23(14-21)28(2,3)4;3*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;/h8-15,17-19,21H,20H2,1-7H3;5-11,13-17H,1-4H3;7-8,11-12,14-17,19H,5-6,9-10H2,1-4H3;3*9-11,14H,5-8H2,1-4H3;;;/q3*-1;;;;;;
InChIKeyUZDBCTMADNAYEH-UHFFFAOYSA-N
MW2644.60 g/mol
LogP38.50
Rot. Bonds31

About 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2-cyclopentyl-4-methylthiophen-3-yl)pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[5-[4-(2,2-dimethylpropyl)phenyl]-2-methylthiophen-3-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[2-methyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]pyrimidine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium)

4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2-cyclopentyl-4-methylthiophen-3-yl)pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[5-[4-(2,2-dimethylpropyl)phenyl]-2-methylthiophen-3-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[2-methyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]pyrimidine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium) (PubChem CID 157093504) has the molecular formula C131H160F3Ir3N6O6S3-3 and a molecular weight of 2644.60 g/mol. Its IUPAC name is 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2-cyclopentyl-4-methylthiophen-3-yl)pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[5-[4-(2,2-dimethylpropyl)phenyl]-2-methylthiophen-3-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[2-methyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]pyrimidine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium).

Molecular Properties

Compound Name4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2-cyclopentyl-4-methylthiophen-3-yl)pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[5-[4-(2,2-dimethylpropyl)phenyl]-2-methylthiophen-3-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[2-methyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]pyrimidine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium)
PubChem CID157093504
Molecular FormulaC131H160F3Ir3N6O6S3-3
Molecular Weight2644.60 g/mol
Exact Mass2645.04
IUPAC Name4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2-cyclopentyl-4-methylthiophen-3-yl)pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[5-[4-(2,2-dimethylpropyl)phenyl]-2-methylthiophen-3-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[2-methyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]pyrimidine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium)
SMILESCCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1csc(C2CCCC2)c1-c1cc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)ncn1.Cc1sc(-c2ccc(CC(C)(C)C)cc2)cc1-c1cc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)ncn1.Cc1sc(-c2cccc(C(F)(F)F)c2)cc1-c1cc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)ncn1.[Ir].[Ir].[Ir]
InChIInChI=1S/C34H35N2S.C30H24F3N2S.C28H29N2S.3C13H24O2.3Ir/c1-22-28(18-32(37-22)24-14-12-23(13-15-24)20-33(2,3)4)31-19-30(35-21-36-31)26-16-25-10-8-9-11-27(25)29(17-26)34(5,6)7;1-18-24(15-28(36-18)20-9-7-10-22(13-20)30(31,32)33)27-16-26(34-17-35-27)21-12-19-8-5-6-11-23(19)25(14-21)29(2,3)4;1-18-16-31-27(19-9-5-6-10-19)26(18)25-15-24(29-17-30-25)21-13-20-11-7-8-12-22(20)23(14-21)28(2,3)4;3*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;/h8-15,17-19,21H,20H2,1-7H3;5-11,13-17H,1-4H3;7-8,11-12,14-17,19H,5-6,9-10H2,1-4H3;3*9-11,14H,5-8H2,1-4H3;;;/q3*-1;;;;;;
InChIKeyUZDBCTMADNAYEH-UHFFFAOYSA-N
XLogP38.50
TPSA189.24 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds31
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002644.60
LogP ≤ 538.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2-cyclopentyl-4-methylthiophen-3-yl)pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[5-[4-(2,2-dimethylpropyl)phenyl]-2-methylthiophen-3-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[2-methyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]pyrimidine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[2-methyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]pyrimidine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 156665438
4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(2,2-dimethylpropyl)phenyl]-2,6-difluorophenyl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(2,2-dimethylpropyl)phenyl]-2-fluoro-6-methylphenyl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(2,2-dimethylpropyl)phenyl]-2-(trifluoromethyl)phenyl]pyrimidine;2-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methyl-4-pyridinyl]-1,3-benzothiazole;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);methane
CID 157199857
4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[6-(2,2-dimethylpropyl)-3-methylnaphthalen-2-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(2,2-dimethylpropyl)phenyl]-2-methylphenyl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[6-(2,2-dimethylpropyl)-3-propan-2-ylnaphthalen-2-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]pyrimidine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);methane
CID 157233058
4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(4,4-dimethylcyclohexyl)-[1]benzothiolo[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2,2-dimethylpropyl)-[1]benzothiolo[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2-methylpropyl)-[1]benzothiolo[3,2-d]pyrimidine;pentakis(3,7-diethyl-6-hydroxynon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-6-(2-methylpropyl)-[1]benzothiolo[3,2-d]pyrimidine;4-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzothiolo[3,2-d]pyrimidine;pentakis(iridium)
CID 157691281
2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4,4-dimethylcyclohexyl)-5,7-dimethylquinoline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-(3,3,3-trifluoropropyl)thieno[3,2-d]pyrimidine;6-cyclopentyl-1-[4-(4,4-dimethylcyclohexyl)-1H-naphthalen-1-id-2-yl]isoquinoline;3,7-diethyl-6-hydroxy-3-(trifluoromethyl)non-5-en-4-one;1-(4,4-dimethylcyclohexyl)-5,5,5-trifluoro-1-hydroxy-4,4-dimethylpent-1-en-3-one;3-ethyl-6-hydroxy-7-methyl-3-(trifluoromethyl)oct-5-en-4-one;6-ethyl-1,1,1-trifluoro-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;tetrakis(iridium)
CID 157741917
4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-(4,4,4-trifluorobutyl)thieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;bis(4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-(3,3,3-trifluoropropyl)thieno[3,2-d]pyrimidine);bis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);1,1,1-trifluoro-4-hydroxy-5-methylhept-3-en-2-one;1,1,1-trifluoro-4-hydroxy-5-methylhex-3-en-2-one
CID 157977354
1,3-bis(1-fluorocyclohexyl)-3-hydroxyprop-2-en-1-one;1-(3-tert-butylbenzene-6-id-1-yl)isoquinoline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2,2-dimethylpropyl)-[1]benzothiolo[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-propylthieno[3,2-d]pyrimidine;1-(4,4-dimethylcyclohexyl)-5,5,5-trifluoro-1-hydroxy-4,4-dimethylpent-1-en-3-one;2-fluoro-5-hydroxy-2,6-dimethylhept-4-en-3-one;3-hydroxy-1,3-bis[1-(trifluoromethyl)cyclohexyl]prop-2-en-1-one;tetrakis(iridium)
CID 158123447
2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4,4-dimethylcyclohexyl)-5,7-dimethylquinoline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-propylthieno[3,2-d]pyrimidine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4,5,7-trimethylquinoline;tetrakis(iridium);bis(1,1,1-trifluoro-5-hydroxy-2,2,6-trimethylhept-4-en-3-one);bis(7,7,7-trifluoro-5-hydroxy-2,6,6-trimethylhept-4-en-3-one)
CID 158410159
4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-cyclopentylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-fluoro-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-(4,4,4-trifluorobutyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)
CID 158634613
bis(4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-(4,4,4-trifluorobutyl)thieno[3,2-d]pyrimidine);4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;bis(4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-(3,3,3-trifluoropropyl)thieno[3,2-d]pyrimidine);4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-propan-2-ylthieno[3,2-d]pyrimidine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);hexakis(iridium);bis(1,1,1-trifluoro-4-hydroxy-5-methylhex-3-en-2-one);6,6,6-trifluoro-5-hydroxy-2-methylhex-4-en-3-one
CID 158775081
2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4,4-dimethylcyclohexyl)-5,7-dimethylquinoline;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-(3,3,3-trifluoropropyl)thieno[3,2-d]pyrimidine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4,5,7-trimethylquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;tetrakis(5-hydroxy-2,2,7-trimethyloct-4-en-3-one);tetrakis(iridium)
CID 158879048
2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4,4-dimethylcyclohexyl)-5,7-dimethylquinoline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2-methylpropyl)-[1]benzothiolo[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-(3,3,3-trifluoropropyl)thieno[3,2-d]pyrimidine;3,7-diethyl-6-hydroxy-3-(trifluoromethyl)non-5-en-4-one;1,1,1,6,6,6-hexafluoro-5-hydroxy-2,2-dimethylhex-4-en-3-one;tetrakis(iridium);1,1,1-trifluoro-5-hydroxy-2,2,7-trimethyloct-4-en-3-one;1,1,1-trifluoro-5-hydroxy-2,2,7-trimethyl-6-propan-2-yloct-4-en-3-one
CID 159433699

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2-cyclopentyl-4-methylthiophen-3-yl)pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[5-[4-(2,2-dimethylpropyl)phenyl]-2-methylthiophen-3-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[2-methyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]pyrimidine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium)?
The IUPAC name of 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2-cyclopentyl-4-methylthiophen-3-yl)pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[5-[4-(2,2-dimethylpropyl)phenyl]-2-methylthiophen-3-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[2-methyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]pyrimidine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium) (CID 157093504) is 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2-cyclopentyl-4-methylthiophen-3-yl)pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[5-[4-(2,2-dimethylpropyl)phenyl]-2-methylthiophen-3-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[2-methyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]pyrimidine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium).
What is the SMILES notation for 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2-cyclopentyl-4-methylthiophen-3-yl)pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[5-[4-(2,2-dimethylpropyl)phenyl]-2-methylthiophen-3-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[2-methyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]pyrimidine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium)?
The canonical SMILES for 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2-cyclopentyl-4-methylthiophen-3-yl)pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[5-[4-(2,2-dimethylpropyl)phenyl]-2-methylthiophen-3-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[2-methyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]pyrimidine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium) is CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1csc(C2CCCC2)c1-c1cc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)ncn1.Cc1sc(-c2ccc(CC(C)(C)C)cc2)cc1-c1cc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)ncn1.Cc1sc(-c2cccc(C(F)(F)F)c2)cc1-c1cc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)ncn1.[Ir].[Ir].[Ir].
What is the InChIKey of 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2-cyclopentyl-4-methylthiophen-3-yl)pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[5-[4-(2,2-dimethylpropyl)phenyl]-2-methylthiophen-3-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[2-methyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]pyrimidine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium)?
The InChIKey is UZDBCTMADNAYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N2S.C30H24F3N2S.C28H29N2S.3C13H24O2.3Ir/c1-22-28(18-32(37-22)24-14-12-23(13-15-24)20-33(2,3)4)31-19-30(35-21-36-31)26-16-25-10-8-9-11-27(25)29(17-26)34(5,6)7;1-18-24(15-28(36-18)20-9-7-10-22(13-20)30(31,32)33)27-16-26(34-17-35-27)21-12-19-8-5-6-11-23(19)25(14-21)29(2,3)4;1-18-16-31-27(19-9-5-6-10-19)26(18)25-15-24(29-17-30-25)21-13-20-11-7-8-12-22(20)23(14-21)28(2,3)4;3*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;/h8-15,17-19,21H,20H2,1-7H3;5-11,13-17H,1-4H3;7-8,11-12,14-17,19H,5-6,9-10H2,1-4H3;3*9-11,14H,5-8H2,1-4H3;;;/q3*-1;;;;;;.
What are the key properties of 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2-cyclopentyl-4-methylthiophen-3-yl)pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[5-[4-(2,2-dimethylpropyl)phenyl]-2-methylthiophen-3-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[2-methyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]pyrimidine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium)?
4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2-cyclopentyl-4-methylthiophen-3-yl)pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[5-[4-(2,2-dimethylpropyl)phenyl]-2-methylthiophen-3-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[2-methyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]pyrimidine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium) has a molecular weight of 2644.60 g/mol, XLogP of 38.50, 31 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2-cyclopentyl-4-methylthiophen-3-yl)pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[5-[4-(2,2-dimethylpropyl)phenyl]-2-methylthiophen-3-yl]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-[2-methyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]pyrimidine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium) is sourced from PubChem (CID 157093504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).