fluoroform;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine

C54H38F6Ir3N3O-3 — CID 159258322

IUPACfluoroform;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
SMILESCc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.FC(F)(F)c1ccccc1-c1ccnc(-c2[c-]cccc2)c1.FC(F)F.Oc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir]
InChIInChI=1S/C18H11F3N.C18H14N.C17H12NO.CHF3.3Ir/c19-18(20,21)16-9-5-4-8-15(16)14-10-11-22-17(12-14)13-6-2-1-3-7-13;1-14-7-5-6-10-17(14)16-11-12-18(19-13-16)15-8-3-2-4-9-15;19-17-9-5-4-8-15(17)14-10-11-16(18-12-14)13-6-2-1-3-7-13;2-1(3)4;;;/h1-6,8-12H;2-8,10-13H,1H3;1-6,8-12,19H;1H;;;/q3*-1;;;;
InChIKeyGGXLVDJDAHIMHX-UHFFFAOYSA-N
MW1435.56 g/mol
LogP14.85
Rot. Bonds6

About fluoroform;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine

fluoroform;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine (PubChem CID 159258322) has the molecular formula C54H38F6Ir3N3O-3 and a molecular weight of 1435.56 g/mol. Its IUPAC name is fluoroform;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Namefluoroform;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
PubChem CID159258322
Molecular FormulaC54H38F6Ir3N3O-3
Molecular Weight1435.56 g/mol
Exact Mass1437.18
IUPAC Namefluoroform;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
SMILESCc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.FC(F)(F)c1ccccc1-c1ccnc(-c2[c-]cccc2)c1.FC(F)F.Oc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir]
InChIInChI=1S/C18H11F3N.C18H14N.C17H12NO.CHF3.3Ir/c19-18(20,21)16-9-5-4-8-15(16)14-10-11-22-17(12-14)13-6-2-1-3-7-13;1-14-7-5-6-10-17(14)16-11-12-18(19-13-16)15-8-3-2-4-9-15;19-17-9-5-4-8-15(17)14-10-11-16(18-12-14)13-6-2-1-3-7-13;2-1(3)4;;;/h1-6,8-12H;2-8,10-13H,1H3;1-6,8-12,19H;1H;;;/q3*-1;;;;
InChIKeyGGXLVDJDAHIMHX-UHFFFAOYSA-N
XLogP14.85
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001435.56
LogP ≤ 514.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Platinum;2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]benzene-2-id-1-yl]methyl]phenol
CID 58004339
2-[[6-[2,4-Difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]phenol;platinum
CID 58004397
2-[[3-[4-Methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]methyl]phenol;platinum
CID 58620926
2-[4-(3,5-Ditert-butylphenyl)-6-(2,6-difluoro-5-pyridin-2-yl-3-pyridinyl)-2-pyridinyl]phenol
CID 136012905
2-[4-(3,5-Ditert-butylphenyl)-6-(2,4-difluoro-5-pyridin-2-ylphenyl)-2-pyridinyl]phenol
CID 136012914
2-[4-(3,5-Ditert-butylphenyl)-6-(6-fluoro-5-pyridin-2-yl-3-pyridinyl)-2-pyridinyl]phenol
CID 136012943
2-[4-(3,5-Ditert-butylphenyl)-6-(6-ethenyl-2-fluoro-5-pyridin-2-yl-3-pyridinyl)-2-pyridinyl]phenol
CID 137166838
2,4-Ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;bis(2-(4-fluorobenzene-6-id-1-yl)pyridine);4-hydroxypent-3-en-2-one;tetrakis(iridium);platinum
CID 157450375
2-(3,5-Dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;tetrakis(iridium);5-(2-methoxyphenyl)-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;3-methyl-2-phenylpyridine;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
CID 157855396
Tris(iridium);5-(2-methoxyphenyl)-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
CID 158147070
Bis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylphenol;tris(2-phenylpyridine);platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 159017779
Tetrakis(iridium);bis(5-(2-methoxyphenyl)-2-phenylpyridine);5-(2-methylphenyl)-2-phenylpyridine;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
CID 160131122

Frequently Asked Questions

What is the IUPAC name of fluoroform;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of fluoroform;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine (CID 159258322) is fluoroform;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for fluoroform;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for fluoroform;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine is Cc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.FC(F)(F)c1ccccc1-c1ccnc(-c2[c-]cccc2)c1.FC(F)F.Oc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].
What is the InChIKey of fluoroform;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine?
The InChIKey is GGXLVDJDAHIMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N.C18H14N.C17H12NO.CHF3.3Ir/c19-18(20,21)16-9-5-4-8-15(16)14-10-11-22-17(12-14)13-6-2-1-3-7-13;1-14-7-5-6-10-17(14)16-11-12-18(19-13-16)15-8-3-2-4-9-15;19-17-9-5-4-8-15(17)14-10-11-16(18-12-14)13-6-2-1-3-7-13;2-1(3)4;;;/h1-6,8-12H;2-8,10-13H,1H3;1-6,8-12,19H;1H;;;/q3*-1;;;;.
What are the key properties of fluoroform;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine?
fluoroform;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine has a molecular weight of 1435.56 g/mol, XLogP of 14.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroform;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 159258322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).