2-[1-methyl-4-(3-phenylisoquinolin-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum

C35H22N3O2Pt- — CID 171732550

IUPAC2-[1-methyl-4-(3-phenylisoquinolin-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum
SMILESCn1c(-c2cc3c(cc2O)oc2ccccc23)nc2c(-c3nc(-c4[c-]cccc4)cc4ccccc34)cccc21.[Pt]
InChIInChI=1S/C35H22N3O2.Pt/c1-38-29-16-9-15-25(33-23-13-6-5-12-22(23)18-28(36-33)21-10-3-2-4-11-21)34(29)37-35(38)27-19-26-24-14-7-8-17-31(24)40-32(26)20-30(27)39;/h2-10,12-20,39H,1H3;/q-1;
InChIKeySOKWVPMHOQCAOJ-UHFFFAOYSA-N
MW711.66 g/mol
LogP8.53
Rot. Bonds3

About 2-[1-methyl-4-(3-phenylisoquinolin-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum

2-[1-methyl-4-(3-phenylisoquinolin-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum (PubChem CID 171732550) has the molecular formula C35H22N3O2Pt- and a molecular weight of 711.66 g/mol. Its IUPAC name is 2-[1-methyl-4-(3-phenylisoquinolin-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum.

Molecular Properties

Compound Name2-[1-methyl-4-(3-phenylisoquinolin-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum
PubChem CID171732550
Molecular FormulaC35H22N3O2Pt-
Molecular Weight711.66 g/mol
Exact Mass711.14
IUPAC Name2-[1-methyl-4-(3-phenylisoquinolin-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum
SMILESCn1c(-c2cc3c(cc2O)oc2ccccc23)nc2c(-c3nc(-c4[c-]cccc4)cc4ccccc34)cccc21.[Pt]
InChIInChI=1S/C35H22N3O2.Pt/c1-38-29-16-9-15-25(33-23-13-6-5-12-22(23)18-28(36-33)21-10-3-2-4-11-21)34(29)37-35(38)27-19-26-24-14-7-8-17-31(24)40-32(26)20-30(27)39;/h2-10,12-20,39H,1H3;/q-1;
InChIKeySOKWVPMHOQCAOJ-UHFFFAOYSA-N
XLogP8.53
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.66
LogP ≤ 58.53
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-[1-methyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol;platinum
CID 171732517
2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylbenzimidazol-2-yl]phenol
CID 171420101
2-[1-methyl-4-[3-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol
CID 140906000
2-[1-phenyl-4-(11,11,12,12-tetramethylbenzo[c]phenanthridin-6-yl)imidazol-2-yl]dibenzofuran-3-ol
CID 171732514
3-[4-[2-(4-benzyl-2-pyridinyl)dibenzofuran-4-yl]-1-methylbenzimidazol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 164742926
2-[1-(2,6-diphenylphenyl)-4-(3-isoquinolin-3-ylphenyl)imidazol-2-yl]dibenzofuran-3-ol
CID 171420085
2-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol
CID 140833006
2-[4-(3-isoquinolin-1-ylnaphthalen-1-yl)-1-methylbenzimidazol-2-yl]phenol
CID 166057478
4-(3-benzylphenyl)-2-[4-[2-[4-(4-fluorophenyl)-2-pyridinyl]-3H-dibenzofuran-3-id-4-yl]-1-methylbenzimidazol-2-yl]phenol;platinum
CID 164742165
2-[4-[5-[6-[5-[2-(2-hydroxyphenyl)-1-methylbenzimidazol-4-yl]-4H-pyridin-4-id-3-yl]pyrimidin-4-yl]-4H-pyridin-4-id-3-yl]-1-methylbenzimidazol-2-yl]phenol;platinum
CID 176622832
2,4-ditert-butyl-6-[1-methyl-4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-3-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-methyl-4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-3-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-3-yl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-3-yl]-1,3-benzothiazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-3-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[1-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-3-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[3-phenyl-7-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]isoquinolin-1-yl]-3H-indol-2-yl]phenol;platinum
CID 162163979
iridium;trimethyl-(3-phenyl-[1]benzofuro[3,2-c]pyridin-1-yl)silane
CID 155619291

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-4-(3-phenylisoquinolin-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum?
The IUPAC name of 2-[1-methyl-4-(3-phenylisoquinolin-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum (CID 171732550) is 2-[1-methyl-4-(3-phenylisoquinolin-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum.
What is the SMILES notation for 2-[1-methyl-4-(3-phenylisoquinolin-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum?
The canonical SMILES for 2-[1-methyl-4-(3-phenylisoquinolin-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum is Cn1c(-c2cc3c(cc2O)oc2ccccc23)nc2c(-c3nc(-c4[c-]cccc4)cc4ccccc34)cccc21.[Pt].
What is the InChIKey of 2-[1-methyl-4-(3-phenylisoquinolin-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum?
The InChIKey is SOKWVPMHOQCAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N3O2.Pt/c1-38-29-16-9-15-25(33-23-13-6-5-12-22(23)18-28(36-33)21-10-3-2-4-11-21)34(29)37-35(38)27-19-26-24-14-7-8-17-31(24)40-32(26)20-30(27)39;/h2-10,12-20,39H,1H3;/q-1;.
What are the key properties of 2-[1-methyl-4-(3-phenylisoquinolin-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum?
2-[1-methyl-4-(3-phenylisoquinolin-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum has a molecular weight of 711.66 g/mol, XLogP of 8.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-4-(3-phenylisoquinolin-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum is sourced from PubChem (CID 171732550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).