4-[2,3-bis(trifluoromethyl)phenoxy]-1-phenylbenzo[g]phthalazine;4-(2-ethylphenoxy)-1-phenylbenzo[g]phthalazine;tetrakis(iridium);1-phenyl-4-[2-(trifluoromethyl)phenoxy]benzo[g]phthalazine;1-phenyl-4-[3-(trifluoromethyl)phenoxy]benzo[g]phthalazine

C102H60F12Ir4N8O4-4 — CID 158718183

IUPAC4-[2,3-bis(trifluoromethyl)phenoxy]-1-phenylbenzo[g]phthalazine;4-(2-ethylphenoxy)-1-phenylbenzo[g]phthalazine;tetrakis(iridium);1-phenyl-4-[2-(trifluoromethyl)phenoxy]benzo[g]phthalazine;1-phenyl-4-[3-(trifluoromethyl)phenoxy]benzo[g]phthalazine
SMILESCCc1ccccc1Oc1nnc(-c2[c-]cccc2)c2cc3ccccc3cc12.FC(F)(F)c1cccc(Oc2nnc(-c3[c-]cccc3)c3cc4ccccc4cc23)c1.FC(F)(F)c1cccc(Oc2nnc(-c3[c-]cccc3)c3cc4ccccc4cc23)c1C(F)(F)F.FC(F)(F)c1ccccc1Oc1nnc(-c2[c-]cccc2)c2cc3ccccc3cc12.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C26H13F6N2O.C26H19N2O.2C25H14F3N2O.4Ir/c27-25(28,29)20-11-6-12-21(22(20)26(30,31)32)35-24-19-14-17-10-5-4-9-16(17)13-18(19)23(33-34-24)15-7-2-1-3-8-15;1-2-18-10-8-9-15-24(18)29-26-23-17-21-14-7-6-13-20(21)16-22(23)25(27-28-26)19-11-4-3-5-12-19;26-25(27,28)21-12-6-7-13-22(21)31-24-20-15-18-11-5-4-10-17(18)14-19(20)23(29-30-24)16-8-2-1-3-9-16;26-25(27,28)19-11-6-12-20(15-19)31-24-22-14-18-10-5-4-9-17(18)13-21(22)23(29-30-24)16-7-2-1-3-8-16;;;;/h1-7,9-14H;3-11,13-17H,2H2,1H3;1-8,10-15H;1-7,9-15H;;;;/q4*-1;;;;
InChIKeyBTKHEXJCZIGPJR-UHFFFAOYSA-N
MW2458.50 g/mol
LogP28.80
Rot. Bonds13

About 4-[2,3-bis(trifluoromethyl)phenoxy]-1-phenylbenzo[g]phthalazine;4-(2-ethylphenoxy)-1-phenylbenzo[g]phthalazine;tetrakis(iridium);1-phenyl-4-[2-(trifluoromethyl)phenoxy]benzo[g]phthalazine;1-phenyl-4-[3-(trifluoromethyl)phenoxy]benzo[g]phthalazine

4-[2,3-bis(trifluoromethyl)phenoxy]-1-phenylbenzo[g]phthalazine;4-(2-ethylphenoxy)-1-phenylbenzo[g]phthalazine;tetrakis(iridium);1-phenyl-4-[2-(trifluoromethyl)phenoxy]benzo[g]phthalazine;1-phenyl-4-[3-(trifluoromethyl)phenoxy]benzo[g]phthalazine (PubChem CID 158718183) has the molecular formula C102H60F12Ir4N8O4-4 and a molecular weight of 2458.50 g/mol. Its IUPAC name is 4-[2,3-bis(trifluoromethyl)phenoxy]-1-phenylbenzo[g]phthalazine;4-(2-ethylphenoxy)-1-phenylbenzo[g]phthalazine;tetrakis(iridium);1-phenyl-4-[2-(trifluoromethyl)phenoxy]benzo[g]phthalazine;1-phenyl-4-[3-(trifluoromethyl)phenoxy]benzo[g]phthalazine.

Molecular Properties

Compound Name4-[2,3-bis(trifluoromethyl)phenoxy]-1-phenylbenzo[g]phthalazine;4-(2-ethylphenoxy)-1-phenylbenzo[g]phthalazine;tetrakis(iridium);1-phenyl-4-[2-(trifluoromethyl)phenoxy]benzo[g]phthalazine;1-phenyl-4-[3-(trifluoromethyl)phenoxy]benzo[g]phthalazine
PubChem CID158718183
Molecular FormulaC102H60F12Ir4N8O4-4
Molecular Weight2458.50 g/mol
Exact Mass2460.31
IUPAC Name4-[2,3-bis(trifluoromethyl)phenoxy]-1-phenylbenzo[g]phthalazine;4-(2-ethylphenoxy)-1-phenylbenzo[g]phthalazine;tetrakis(iridium);1-phenyl-4-[2-(trifluoromethyl)phenoxy]benzo[g]phthalazine;1-phenyl-4-[3-(trifluoromethyl)phenoxy]benzo[g]phthalazine
SMILESCCc1ccccc1Oc1nnc(-c2[c-]cccc2)c2cc3ccccc3cc12.FC(F)(F)c1cccc(Oc2nnc(-c3[c-]cccc3)c3cc4ccccc4cc23)c1.FC(F)(F)c1cccc(Oc2nnc(-c3[c-]cccc3)c3cc4ccccc4cc23)c1C(F)(F)F.FC(F)(F)c1ccccc1Oc1nnc(-c2[c-]cccc2)c2cc3ccccc3cc12.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C26H13F6N2O.C26H19N2O.2C25H14F3N2O.4Ir/c27-25(28,29)20-11-6-12-21(22(20)26(30,31)32)35-24-19-14-17-10-5-4-9-16(17)13-18(19)23(33-34-24)15-7-2-1-3-8-15;1-2-18-10-8-9-15-24(18)29-26-23-17-21-14-7-6-13-20(21)16-22(23)25(27-28-26)19-11-4-3-5-12-19;26-25(27,28)21-12-6-7-13-22(21)31-24-20-15-18-11-5-4-10-17(18)14-19(20)23(29-30-24)16-8-2-1-3-9-16;26-25(27,28)19-11-6-12-20(15-19)31-24-22-14-18-10-5-4-9-17(18)13-21(22)23(29-30-24)16-7-2-1-3-8-16;;;;/h1-7,9-14H;3-11,13-17H,2H2,1H3;1-8,10-15H;1-7,9-15H;;;;/q4*-1;;;;
InChIKeyBTKHEXJCZIGPJR-UHFFFAOYSA-N
XLogP28.80
TPSA140.04 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002458.50
LogP ≤ 528.80
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_2', 'substructure': 'N/A'}

Analyze 4-[2,3-bis(trifluoromethyl)phenoxy]-1-phenylbenzo[g]phthalazine;4-(2-ethylphenoxy)-1-phenylbenzo[g]phthalazine;tetrakis(iridium);1-phenyl-4-[2-(trifluoromethyl)phenoxy]benzo[g]phthalazine;1-phenyl-4-[3-(trifluoromethyl)phenoxy]benzo[g]phthalazine 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

iridium(3+);bis((Z)-[(4E,6E)-2-methanidyl-4,6-dimethylnona-1,4,6,8-tetraen-3-ylidene]hydrazine);1-phenyl-4-[2,3,5-tris(trifluoromethyl)phenoxy]benzo[g]phthalazine
CID 166026269
[2-[3-(trifluoromethyl)phenoxy]phenyl]methanol
CID 3700252
[2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 19627404
methyl 2-[2-[3-[3-(trifluoromethyl)phenoxy]phenoxy]phenyl]acetate
CID 151514749
4-ethyl-3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine
CID 18359733
bis(1-benzo[g]phthalazin-4-ylethenethiol);iridium(3+);1-(3H-thiophen-3-id-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzo[g]phthalazine
CID 166026244
1-ethyl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627169
2-chloro-6-(2-ethylphenoxy)-4-(trifluoromethyl)pyridine
CID 102715226
1-benzyl-4-[3-(trifluoromethyl)phenoxy]phthalazine
CID 6404481
3-(2-ethylphenoxy)-5-(trifluoromethyl)aniline
CID 82995697
1-(1-benzofuran-2-yl)-4-[2-methyl-6-(trifluoromethyl)phenoxy]benzo[g]phthalazine
CID 158142418
2-ethyl-5-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80988288

Frequently Asked Questions

What is the IUPAC name of 4-[2,3-bis(trifluoromethyl)phenoxy]-1-phenylbenzo[g]phthalazine;4-(2-ethylphenoxy)-1-phenylbenzo[g]phthalazine;tetrakis(iridium);1-phenyl-4-[2-(trifluoromethyl)phenoxy]benzo[g]phthalazine;1-phenyl-4-[3-(trifluoromethyl)phenoxy]benzo[g]phthalazine?
The IUPAC name of 4-[2,3-bis(trifluoromethyl)phenoxy]-1-phenylbenzo[g]phthalazine;4-(2-ethylphenoxy)-1-phenylbenzo[g]phthalazine;tetrakis(iridium);1-phenyl-4-[2-(trifluoromethyl)phenoxy]benzo[g]phthalazine;1-phenyl-4-[3-(trifluoromethyl)phenoxy]benzo[g]phthalazine (CID 158718183) is 4-[2,3-bis(trifluoromethyl)phenoxy]-1-phenylbenzo[g]phthalazine;4-(2-ethylphenoxy)-1-phenylbenzo[g]phthalazine;tetrakis(iridium);1-phenyl-4-[2-(trifluoromethyl)phenoxy]benzo[g]phthalazine;1-phenyl-4-[3-(trifluoromethyl)phenoxy]benzo[g]phthalazine.
What is the SMILES notation for 4-[2,3-bis(trifluoromethyl)phenoxy]-1-phenylbenzo[g]phthalazine;4-(2-ethylphenoxy)-1-phenylbenzo[g]phthalazine;tetrakis(iridium);1-phenyl-4-[2-(trifluoromethyl)phenoxy]benzo[g]phthalazine;1-phenyl-4-[3-(trifluoromethyl)phenoxy]benzo[g]phthalazine?
The canonical SMILES for 4-[2,3-bis(trifluoromethyl)phenoxy]-1-phenylbenzo[g]phthalazine;4-(2-ethylphenoxy)-1-phenylbenzo[g]phthalazine;tetrakis(iridium);1-phenyl-4-[2-(trifluoromethyl)phenoxy]benzo[g]phthalazine;1-phenyl-4-[3-(trifluoromethyl)phenoxy]benzo[g]phthalazine is CCc1ccccc1Oc1nnc(-c2[c-]cccc2)c2cc3ccccc3cc12.FC(F)(F)c1cccc(Oc2nnc(-c3[c-]cccc3)c3cc4ccccc4cc23)c1.FC(F)(F)c1cccc(Oc2nnc(-c3[c-]cccc3)c3cc4ccccc4cc23)c1C(F)(F)F.FC(F)(F)c1ccccc1Oc1nnc(-c2[c-]cccc2)c2cc3ccccc3cc12.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 4-[2,3-bis(trifluoromethyl)phenoxy]-1-phenylbenzo[g]phthalazine;4-(2-ethylphenoxy)-1-phenylbenzo[g]phthalazine;tetrakis(iridium);1-phenyl-4-[2-(trifluoromethyl)phenoxy]benzo[g]phthalazine;1-phenyl-4-[3-(trifluoromethyl)phenoxy]benzo[g]phthalazine?
The InChIKey is BTKHEXJCZIGPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H13F6N2O.C26H19N2O.2C25H14F3N2O.4Ir/c27-25(28,29)20-11-6-12-21(22(20)26(30,31)32)35-24-19-14-17-10-5-4-9-16(17)13-18(19)23(33-34-24)15-7-2-1-3-8-15;1-2-18-10-8-9-15-24(18)29-26-23-17-21-14-7-6-13-20(21)16-22(23)25(27-28-26)19-11-4-3-5-12-19;26-25(27,28)21-12-6-7-13-22(21)31-24-20-15-18-11-5-4-10-17(18)14-19(20)23(29-30-24)16-8-2-1-3-9-16;26-25(27,28)19-11-6-12-20(15-19)31-24-22-14-18-10-5-4-9-17(18)13-21(22)23(29-30-24)16-7-2-1-3-8-16;;;;/h1-7,9-14H;3-11,13-17H,2H2,1H3;1-8,10-15H;1-7,9-15H;;;;/q4*-1;;;;.
What are the key properties of 4-[2,3-bis(trifluoromethyl)phenoxy]-1-phenylbenzo[g]phthalazine;4-(2-ethylphenoxy)-1-phenylbenzo[g]phthalazine;tetrakis(iridium);1-phenyl-4-[2-(trifluoromethyl)phenoxy]benzo[g]phthalazine;1-phenyl-4-[3-(trifluoromethyl)phenoxy]benzo[g]phthalazine?
4-[2,3-bis(trifluoromethyl)phenoxy]-1-phenylbenzo[g]phthalazine;4-(2-ethylphenoxy)-1-phenylbenzo[g]phthalazine;tetrakis(iridium);1-phenyl-4-[2-(trifluoromethyl)phenoxy]benzo[g]phthalazine;1-phenyl-4-[3-(trifluoromethyl)phenoxy]benzo[g]phthalazine has a molecular weight of 2458.50 g/mol, XLogP of 28.80, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-bis(trifluoromethyl)phenoxy]-1-phenylbenzo[g]phthalazine;4-(2-ethylphenoxy)-1-phenylbenzo[g]phthalazine;tetrakis(iridium);1-phenyl-4-[2-(trifluoromethyl)phenoxy]benzo[g]phthalazine;1-phenyl-4-[3-(trifluoromethyl)phenoxy]benzo[g]phthalazine is sourced from PubChem (CID 158718183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).