2-[4-[3-(3-benzyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum

C37H26N3OPt- — CID 164742803

IUPAC2-[4-[3-(3-benzyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
SMILESOc1ccccc1-c1nc2c(-c3[c-]c(-c4ncccc4Cc4ccccc4)ccc3)cccc2n1-c1ccccc1.[Pt]
InChIInChI=1S/C37H26N3O.Pt/c41-34-22-8-7-19-32(34)37-39-36-31(20-10-21-33(36)40(37)30-17-5-2-6-18-30)27-14-9-15-29(25-27)35-28(16-11-23-38-35)24-26-12-3-1-4-13-26;/h1-23,41H,24H2;/q-1;
InChIKeyBPBISRMABNRGAB-UHFFFAOYSA-N
MW723.71 g/mol
LogP8.52
Rot. Bonds6

About 2-[4-[3-(3-benzyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum

2-[4-[3-(3-benzyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum (PubChem CID 164742803) has the molecular formula C37H26N3OPt- and a molecular weight of 723.71 g/mol. Its IUPAC name is 2-[4-[3-(3-benzyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name2-[4-[3-(3-benzyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
PubChem CID164742803
Molecular FormulaC37H26N3OPt-
Molecular Weight723.71 g/mol
Exact Mass723.17
IUPAC Name2-[4-[3-(3-benzyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
SMILESOc1ccccc1-c1nc2c(-c3[c-]c(-c4ncccc4Cc4ccccc4)ccc3)cccc2n1-c1ccccc1.[Pt]
InChIInChI=1S/C37H26N3O.Pt/c41-34-22-8-7-19-32(34)37-39-36-31(20-10-21-33(36)40(37)30-17-5-2-6-18-30)27-14-9-15-29(25-27)35-28(16-11-23-38-35)24-26-12-3-1-4-13-26;/h1-23,41H,24H2;/q-1;
InChIKeyBPBISRMABNRGAB-UHFFFAOYSA-N
XLogP8.52
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.71
LogP ≤ 58.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-2-[4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
CID 177110396
2-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]phenol;platinum
CID 164823645
2-[4-[3-tert-butyl-5-(6-tert-butylquinolin-8-yl)benzene-6-id-1-yl]-1-(4-tert-butylphenyl)benzimidazol-2-yl]phenol;platinum
CID 177110645
2-[1-phenyl-4-[3-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 164742899
2-[4-[3-tert-butyl-5-[6-[difluoro(phenyl)methyl]quinolin-8-yl]benzene-6-id-1-yl]-1-(4-tert-butylphenyl)benzimidazol-2-yl]phenol;platinum
CID 177110819
2-[1-phenyl-4-[3-[4-[3-(1-phenylethyl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 164742307
4-tert-butyl-2-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 177110719
2-[4-[3-([1]benzofuro[3,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
CID 162784098
4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
CID 177109975
deuterium monohydride;2-[4-[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
CID 159670706
2-[1-(4-benzylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 164742712
2-[1-phenyl-4-[3-(3,5,6-trideuterio-4-thiophen-2-yl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 171424869

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3-benzyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum?
The IUPAC name of 2-[4-[3-(3-benzyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum (CID 164742803) is 2-[4-[3-(3-benzyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum.
What is the SMILES notation for 2-[4-[3-(3-benzyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum?
The canonical SMILES for 2-[4-[3-(3-benzyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum is Oc1ccccc1-c1nc2c(-c3[c-]c(-c4ncccc4Cc4ccccc4)ccc3)cccc2n1-c1ccccc1.[Pt].
What is the InChIKey of 2-[4-[3-(3-benzyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum?
The InChIKey is BPBISRMABNRGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N3O.Pt/c41-34-22-8-7-19-32(34)37-39-36-31(20-10-21-33(36)40(37)30-17-5-2-6-18-30)27-14-9-15-29(25-27)35-28(16-11-23-38-35)24-26-12-3-1-4-13-26;/h1-23,41H,24H2;/q-1;.
What are the key properties of 2-[4-[3-(3-benzyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum?
2-[4-[3-(3-benzyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum has a molecular weight of 723.71 g/mol, XLogP of 8.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(3-benzyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 164742803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).