4-methoxy-2-[5-methyl-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;platinum(2+);[2-[5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol

C44H41F3N2O2Pt — CID 58401771

IUPAC4-methoxy-2-[5-methyl-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;platinum(2+);[2-[5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol
SMILESCOc1ccnc(-c2[c-]c(C)ccc2-c2c(C)cc(C)cc2C)c1.Cc1cc(C)c(-c2ccc(C(F)(F)F)[c-]c2-c2cc(CO)ccn2)c(C)c1.[Pt+2]
InChIInChI=1S/C22H19F3NO.C22H22NO.Pt/c1-13-8-14(2)21(15(3)9-13)18-5-4-17(22(23,24)25)11-19(18)20-10-16(12-27)6-7-26-20;1-14-6-7-19(22-16(3)10-15(2)11-17(22)4)20(12-14)21-13-18(24-5)8-9-23-21;/h4-10,27H,12H2,1-3H3;6-11,13H,1-5H3;/q2*-1;+2
InChIKeyJWKMCQVEZXSVSD-UHFFFAOYSA-N
MW881.90 g/mol
LogP11.11
Rot. Bonds6

About 4-methoxy-2-[5-methyl-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;platinum(2+);[2-[5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol

4-methoxy-2-[5-methyl-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;platinum(2+);[2-[5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol (PubChem CID 58401771) has the molecular formula C44H41F3N2O2Pt and a molecular weight of 881.90 g/mol. Its IUPAC name is 4-methoxy-2-[5-methyl-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;platinum(2+);[2-[5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol.

Molecular Properties

Compound Name4-methoxy-2-[5-methyl-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;platinum(2+);[2-[5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol
PubChem CID58401771
Molecular FormulaC44H41F3N2O2Pt
Molecular Weight881.90 g/mol
Exact Mass881.28
IUPAC Name4-methoxy-2-[5-methyl-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;platinum(2+);[2-[5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol
SMILESCOc1ccnc(-c2[c-]c(C)ccc2-c2c(C)cc(C)cc2C)c1.Cc1cc(C)c(-c2ccc(C(F)(F)F)[c-]c2-c2cc(CO)ccn2)c(C)c1.[Pt+2]
InChIInChI=1S/C22H19F3NO.C22H22NO.Pt/c1-13-8-14(2)21(15(3)9-13)18-5-4-17(22(23,24)25)11-19(18)20-10-16(12-27)6-7-26-20;1-14-6-7-19(22-16(3)10-15(2)11-17(22)4)20(12-14)21-13-18(24-5)8-9-23-21;/h4-10,27H,12H2,1-3H3;6-11,13H,1-5H3;/q2*-1;+2
InChIKeyJWKMCQVEZXSVSD-UHFFFAOYSA-N
XLogP11.11
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.90
LogP ≤ 511.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-2-[5-methyl-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;platinum(2+);[2-[5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol with MolForge

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Related Compounds

Bis(4-methoxy-2-[5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine);platinum(2+)
CID 57872626
(Z)-4-hydroxypent-3-en-2-one;4-methoxy-2-[2-methoxy-4-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum
CID 57872758
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]-4-methoxypyridine;2-[2,3-diphenyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxypyridine;platinum(2+)
CID 57872831
(Z)-4-hydroxypent-3-en-2-one;4-methoxy-2-[4-methoxy-2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum
CID 57873261
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-[2-Carbazol-9-yl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;9-[2-(4-methoxy-2-pyridinyl)-4-methylbenzene-3-id-1-yl]carbazole;platinum(2+)
CID 58401472
4-Methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum(2+)
CID 58401598
3-[4-(Hydroxymethyl)-2-pyridinyl]-5-methylbenzene-2-ide-1-carbonitrile;2-[3-isocyano-5-(trifluoromethyl)benzene-2-id-1-yl]-4-methoxypyridine;platinum(2+)
CID 58401686
[2-[2,3-Diphenyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;platinum(2+)
CID 58401824
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
7-Methyl-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90837114
7-Methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90882367

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[5-methyl-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;platinum(2+);[2-[5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol?
The IUPAC name of 4-methoxy-2-[5-methyl-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;platinum(2+);[2-[5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol (CID 58401771) is 4-methoxy-2-[5-methyl-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;platinum(2+);[2-[5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol.
What is the SMILES notation for 4-methoxy-2-[5-methyl-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;platinum(2+);[2-[5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol?
The canonical SMILES for 4-methoxy-2-[5-methyl-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;platinum(2+);[2-[5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol is COc1ccnc(-c2[c-]c(C)ccc2-c2c(C)cc(C)cc2C)c1.Cc1cc(C)c(-c2ccc(C(F)(F)F)[c-]c2-c2cc(CO)ccn2)c(C)c1.[Pt+2].
What is the InChIKey of 4-methoxy-2-[5-methyl-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;platinum(2+);[2-[5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol?
The InChIKey is JWKMCQVEZXSVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3NO.C22H22NO.Pt/c1-13-8-14(2)21(15(3)9-13)18-5-4-17(22(23,24)25)11-19(18)20-10-16(12-27)6-7-26-20;1-14-6-7-19(22-16(3)10-15(2)11-17(22)4)20(12-14)21-13-18(24-5)8-9-23-21;/h4-10,27H,12H2,1-3H3;6-11,13H,1-5H3;/q2*-1;+2.
What are the key properties of 4-methoxy-2-[5-methyl-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;platinum(2+);[2-[5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol?
4-methoxy-2-[5-methyl-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;platinum(2+);[2-[5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol has a molecular weight of 881.90 g/mol, XLogP of 11.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[5-methyl-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;platinum(2+);[2-[5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol is sourced from PubChem (CID 58401771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).