[1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-3-methyl-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-6-id-1-yl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum

C37H40N4OPt-2 — CID 169066442

IUPAC[1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-3-methyl-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-6-id-1-yl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum
SMILES[2H]C([2H])([2H])n1c(=[Pt])n(-c2[c-]c(Oc3[c-]c4c(cc3)CC(C)CN4c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)c2ccccc21
InChIInChI=1S/C37H40N4O.Pt/c1-25-17-26-13-14-30(22-34(26)40(23-25)35-20-27(15-16-38-35)36(2,3)4)42-31-19-28(37(5,6)7)18-29(21-31)41-24-39(8)32-11-9-10-12-33(32)41;/h9-16,18-20,25H,17,23H2,1-8H3;/q-2;/i8D3;
InChIKeyMIMHNAUJCBOSLZ-PZLATECJSA-N
MW754.85 g/mol
LogP8.76
Rot. Bonds5

About [1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-3-methyl-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-6-id-1-yl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum

[1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-3-methyl-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-6-id-1-yl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum (PubChem CID 169066442) has the molecular formula C37H40N4OPt-2 and a molecular weight of 754.85 g/mol. Its IUPAC name is [1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-3-methyl-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-6-id-1-yl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum.

Molecular Properties

Compound Name[1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-3-methyl-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-6-id-1-yl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum
PubChem CID169066442
Molecular FormulaC37H40N4OPt-2
Molecular Weight754.85 g/mol
Exact Mass754.30
IUPAC Name[1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-3-methyl-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-6-id-1-yl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum
SMILES[2H]C([2H])([2H])n1c(=[Pt])n(-c2[c-]c(Oc3[c-]c4c(cc3)CC(C)CN4c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)c2ccccc21
InChIInChI=1S/C37H40N4O.Pt/c1-25-17-26-13-14-30(22-34(26)40(23-25)35-20-27(15-16-38-35)36(2,3)4)42-31-19-28(37(5,6)7)18-29(21-31)41-24-39(8)32-11-9-10-12-33(32)41;/h9-16,18-20,25H,17,23H2,1-8H3;/q-2;/i8D3;
InChIKeyMIMHNAUJCBOSLZ-PZLATECJSA-N
XLogP8.76
TPSA35.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.85
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-3-methyl-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-6-id-1-yl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum 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

[1-[3-tert-butyl-5-[[2-methyl-6-(4-methyl-2-pyridinyl)-3,4,4a,5,7,10b-hexahydro-1H-benzo[c][2,6]naphthyridin-7-id-8-yl]oxy]benzene-6-id-1-yl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum
CID 169030713
[1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-4-methyl-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-6-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 169066649
[1-[3-[[5-(4-tert-butyl-2-pyridinyl)-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum
CID 169030748
[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
CID 169066476
[1-[3-[[3-(4-tert-butyl-2-pyridinyl)-1a,2,4,7b-tetrahydro-1H-cyclopropa[c]quinolin-4-id-5-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 169030709
[1-[3-[[5-(4-tert-butyl-2-pyridinyl)-8-phenyl-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 169030746
[1-[3-tert-butyl-5-[5-(4-methyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-6-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum
CID 169030742
[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[1-(4-tert-butyl-2-pyridinyl)-5-phenyl-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
CID 169066427
[1-[3-tert-butyl-5-[10-(4-tert-butyl-2-pyridinyl)-3',6',10'-triphenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-6-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796792
[1-[3-[[1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum
CID 169066594
[1-[3-tert-butyl-5-[7-tert-butyl-10-(4-tert-butyl-2-pyridinyl)-10'-phenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-6-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796780
[1-[3-[10'-(4-tert-butylphenyl)-10-(4-tert-butyl-2-pyridinyl)spiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(3,5-ditert-butylphenyl)benzimidazol-2-ylidene]platinum
CID 168796817

Frequently Asked Questions

What is the IUPAC name of [1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-3-methyl-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-6-id-1-yl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum?
The IUPAC name of [1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-3-methyl-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-6-id-1-yl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum (CID 169066442) is [1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-3-methyl-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-6-id-1-yl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum.
What is the SMILES notation for [1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-3-methyl-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-6-id-1-yl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum?
The canonical SMILES for [1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-3-methyl-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-6-id-1-yl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum is [2H]C([2H])([2H])n1c(=[Pt])n(-c2[c-]c(Oc3[c-]c4c(cc3)CC(C)CN4c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)c2ccccc21.
What is the InChIKey of [1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-3-methyl-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-6-id-1-yl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum?
The InChIKey is MIMHNAUJCBOSLZ-PZLATECJSA-N. The full InChI is InChI=1S/C37H40N4O.Pt/c1-25-17-26-13-14-30(22-34(26)40(23-25)35-20-27(15-16-38-35)36(2,3)4)42-31-19-28(37(5,6)7)18-29(21-31)41-24-39(8)32-11-9-10-12-33(32)41;/h9-16,18-20,25H,17,23H2,1-8H3;/q-2;/i8D3;.
What are the key properties of [1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-3-methyl-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-6-id-1-yl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum?
[1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-3-methyl-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-6-id-1-yl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum has a molecular weight of 754.85 g/mol, XLogP of 8.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-3-methyl-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-6-id-1-yl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 169066442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).