[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

C37H39N5OPt-2 — CID 169030713

IUPAC[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
SMILES[2H]C([2H])([2H])n1c(=[Pt])n(-c2[c-]c(Oc3[c-]c4c(cc3)C3CN(C)CCC3CN4c3cc(C)ccn3)cc(C(C)(C)C)c2)c2ccccc21
InChIInChI=1S/C37H39N5O.Pt/c1-25-13-15-38-36(17-25)41-22-26-14-16-39(5)23-32(26)31-12-11-29(21-35(31)41)43-30-19-27(37(2,3)4)18-28(20-30)42-24-40(6)33-9-7-8-10-34(33)42;/h7-13,15,17-19,26,32H,14,16,22-23H2,1-6H3;/q-2;/i6D3;
InChIKeyGDFFYYFOTCXNJM-AZZWRUEWSA-N
MW767.85 g/mol
LogP7.63
Rot. Bonds5

About [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

[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 (PubChem CID 169030713) has the molecular formula C37H39N5OPt-2 and a molecular weight of 767.85 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID169030713
Molecular FormulaC37H39N5OPt-2
Molecular Weight767.85 g/mol
Exact Mass767.30
IUPAC Name[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
SMILES[2H]C([2H])([2H])n1c(=[Pt])n(-c2[c-]c(Oc3[c-]c4c(cc3)C3CN(C)CCC3CN4c3cc(C)ccn3)cc(C(C)(C)C)c2)c2ccccc21
InChIInChI=1S/C37H39N5O.Pt/c1-25-13-15-38-36(17-25)41-22-26-14-16-39(5)23-32(26)31-12-11-29(21-35(31)41)43-30-19-27(37(2,3)4)18-28(20-30)42-24-40(6)33-9-7-8-10-34(33)42;/h7-13,15,17-19,26,32H,14,16,22-23H2,1-6H3;/q-2;/i6D3;
InChIKeyGDFFYYFOTCXNJM-AZZWRUEWSA-N
XLogP7.63
TPSA38.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.85
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [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 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-[[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
[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-[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-[[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-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum
CID 169066578
[1-[3-[[5-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 169066460
[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-[3-[[4-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
CID 169066619
[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-(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-tert-butyl-5-[5-(4-methyl-2-pyridinyl)spiro[6a,7,8,9,10,10a-hexahydrophenanthridine-6,1'-cyclohexane]-3-yl]oxyphenyl]-3-methylbenzimidazol-2-ylidene]platinum
CID 169030590

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is [2H]C([2H])([2H])n1c(=[Pt])n(-c2[c-]c(Oc3[c-]c4c(cc3)C3CN(C)CCC3CN4c3cc(C)ccn3)cc(C(C)(C)C)c2)c2ccccc21.
What is the InChIKey of [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?
The InChIKey is GDFFYYFOTCXNJM-AZZWRUEWSA-N. The full InChI is InChI=1S/C37H39N5O.Pt/c1-25-13-15-38-36(17-25)41-22-26-14-16-39(5)23-32(26)31-12-11-29(21-35(31)41)43-30-19-27(37(2,3)4)18-28(20-30)42-24-40(6)33-9-7-8-10-34(33)42;/h7-13,15,17-19,26,32H,14,16,22-23H2,1-6H3;/q-2;/i6D3;.
What are the key properties of [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?
[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 has a molecular weight of 767.85 g/mol, XLogP of 7.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 169030713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).