1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-methylimidazol-2-yl]dibenzofuran-2-ol;platinum

C31H20N3O2Pt- — CID 171420134

IUPAC1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-methylimidazol-2-yl]dibenzofuran-2-ol;platinum
SMILESCn1cc(-c2[c-]c(-c3cc4ccccc4cn3)ccc2)nc1-c1c(O)ccc2oc3ccccc3c12.[Pt]
InChIInChI=1S/C31H20N3O2.Pt/c1-34-18-25(21-10-6-9-20(15-21)24-16-19-7-2-3-8-22(19)17-32-24)33-31(34)30-26(35)13-14-28-29(30)23-11-4-5-12-27(23)36-28;/h2-14,16-18,35H,1H3;/q-1;
InChIKeyJKZGJYGVOTWTKV-UHFFFAOYSA-N
MW661.60 g/mol
LogP7.37
Rot. Bonds3

About 1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-methylimidazol-2-yl]dibenzofuran-2-ol;platinum

1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-methylimidazol-2-yl]dibenzofuran-2-ol;platinum (PubChem CID 171420134) has the molecular formula C31H20N3O2Pt- and a molecular weight of 661.60 g/mol. Its IUPAC name is 1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-methylimidazol-2-yl]dibenzofuran-2-ol;platinum.

Molecular Properties

Compound Name1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-methylimidazol-2-yl]dibenzofuran-2-ol;platinum
PubChem CID171420134
Molecular FormulaC31H20N3O2Pt-
Molecular Weight661.60 g/mol
Exact Mass661.12
IUPAC Name1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-methylimidazol-2-yl]dibenzofuran-2-ol;platinum
SMILESCn1cc(-c2[c-]c(-c3cc4ccccc4cn3)ccc2)nc1-c1c(O)ccc2oc3ccccc3c12.[Pt]
InChIInChI=1S/C31H20N3O2.Pt/c1-34-18-25(21-10-6-9-20(15-21)24-16-19-7-2-3-8-22(19)17-32-24)33-31(34)30-26(35)13-14-28-29(30)23-11-4-5-12-27(23)36-28;/h2-14,16-18,35H,1H3;/q-1;
InChIKeyJKZGJYGVOTWTKV-UHFFFAOYSA-N
XLogP7.37
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.60
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylimidazol-2-yl]phenol
CID 171420164
2-[1-(2,6-diphenylphenyl)-4-(3-isoquinolin-3-ylphenyl)imidazol-2-yl]dibenzofuran-3-ol
CID 171420085
N-[3-([1]benzofuro[2,3-c]pyridin-3-yl)benzene-2-id-1-yl]-3-isoquinolin-3-yl-N-phenylbenzene-2-id-1-amine;N-[3-([1]benzofuro[2,3-c]pyridin-3-yl)benzene-2-id-1-yl]-N-[3-(5-methyl-4-phenyl-2-pyridinyl)benzene-2-id-1-yl]naphthalen-1-amine;3-([1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;tris(platinum(2+))
CID 160657018
2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylbenzimidazol-2-yl]phenol
CID 171420101
CID 164721112
CID 164721112
2-[1-methyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol;platinum
CID 171732517
3-(10,10-dimethylindeno[1,2-b][1]benzofuran-4-yl)isoquinoline
CID 168815665
(4E)-4-hydroxyimino-2-isoquinolin-3-ylchromen-6-ol
CID 136503381
2-[1-methyl-4-(3-phenylisoquinolin-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum
CID 171732550
3-isoquinolin-3-yl-2-phenylchromen-4-one
CID 175381344
4-[4-phenyl-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)benzene-2-id-1-yl]-2-pyridinyl]dibenzofuran-3-ol;platinum
CID 169318109
1-[4-(11,12-dihydrobenzo[c]phenanthridin-6-yl)-1-phenylimidazol-2-yl]dibenzofuran-2-ol
CID 171732489

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-methylimidazol-2-yl]dibenzofuran-2-ol;platinum?
The IUPAC name of 1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-methylimidazol-2-yl]dibenzofuran-2-ol;platinum (CID 171420134) is 1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-methylimidazol-2-yl]dibenzofuran-2-ol;platinum.
What is the SMILES notation for 1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-methylimidazol-2-yl]dibenzofuran-2-ol;platinum?
The canonical SMILES for 1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-methylimidazol-2-yl]dibenzofuran-2-ol;platinum is Cn1cc(-c2[c-]c(-c3cc4ccccc4cn3)ccc2)nc1-c1c(O)ccc2oc3ccccc3c12.[Pt].
What is the InChIKey of 1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-methylimidazol-2-yl]dibenzofuran-2-ol;platinum?
The InChIKey is JKZGJYGVOTWTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N3O2.Pt/c1-34-18-25(21-10-6-9-20(15-21)24-16-19-7-2-3-8-22(19)17-32-24)33-31(34)30-26(35)13-14-28-29(30)23-11-4-5-12-27(23)36-28;/h2-14,16-18,35H,1H3;/q-1;.
What are the key properties of 1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-methylimidazol-2-yl]dibenzofuran-2-ol;platinum?
1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-methylimidazol-2-yl]dibenzofuran-2-ol;platinum has a molecular weight of 661.60 g/mol, XLogP of 7.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-methylimidazol-2-yl]dibenzofuran-2-ol;platinum is sourced from PubChem (CID 171420134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).