2-[6-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum(2+)

C36H24N3OPt+ — CID 168730623

IUPAC2-[6-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum(2+)
SMILESOc1ccccc1-c1cccc(-c2[c-]c(-n3[c-][n+](-c4ccccc4-c4ccccc4)c4ccccc43)ccc2)n1.[Pt+2]
InChIInChI=1S/C36H24N3O.Pt/c40-36-23-9-5-17-30(36)32-19-11-18-31(37-32)27-14-10-15-28(24-27)38-25-39(35-22-8-7-21-34(35)38)33-20-6-4-16-29(33)26-12-2-1-3-13-26;/h1-23,40H;/q-1;+2
InChIKeyPJLKCBKYKZYYAI-UHFFFAOYSA-N
MW709.69 g/mol
LogP7.61
Rot. Bonds5

About 2-[6-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum(2+)

2-[6-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum(2+) (PubChem CID 168730623) has the molecular formula C36H24N3OPt+ and a molecular weight of 709.69 g/mol. Its IUPAC name is 2-[6-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum(2+).

Molecular Properties

Compound Name2-[6-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum(2+)
PubChem CID168730623
Molecular FormulaC36H24N3OPt+
Molecular Weight709.69 g/mol
Exact Mass709.16
IUPAC Name2-[6-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum(2+)
SMILESOc1ccccc1-c1cccc(-c2[c-]c(-n3[c-][n+](-c4ccccc4-c4ccccc4)c4ccccc43)ccc2)n1.[Pt+2]
InChIInChI=1S/C36H24N3O.Pt/c40-36-23-9-5-17-30(36)32-19-11-18-31(37-32)27-14-10-15-28(24-27)38-25-39(35-22-8-7-21-34(35)38)33-20-6-4-16-29(33)26-12-2-1-3-13-26;/h1-23,40H;/q-1;+2
InChIKeyPJLKCBKYKZYYAI-UHFFFAOYSA-N
XLogP7.61
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.69
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-[6-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)-2-pyridinyl]phenyl]phenol
CID 168730622
CID 169309447
CID 169309447
1-(2,6-diphenylphenyl)-3-[3-[3-[6-(4-phenylphenyl)pyrimidin-4-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-ide;platinum
CID 154594807
CID 166570663
CID 166570663
CID 168836195
CID 168836195
3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-N-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(4+)
CID 176781547
2-[3,4-diphenyl-9-[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]imidazo[4,5-b][1,4]benzazaborinin-2-yl]phenol;platinum(2+)
CID 164729115
9-[3-carbazol-9-yl-2-[3-[3-[3-[6-methyl-5-(4-phenylphenyl)pyridazin-3-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]carbazole;methane;platinum
CID 160755738
CID 164734053
CID 164734053
19-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15(20),16,18-decaen-3-ol
CID 166562274
nickel;2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]phenol
CID 153499066
6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-2-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 155657158

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum(2+)?
The IUPAC name of 2-[6-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum(2+) (CID 168730623) is 2-[6-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum(2+).
What is the SMILES notation for 2-[6-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum(2+)?
The canonical SMILES for 2-[6-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum(2+) is Oc1ccccc1-c1cccc(-c2[c-]c(-n3[c-][n+](-c4ccccc4-c4ccccc4)c4ccccc43)ccc2)n1.[Pt+2].
What is the InChIKey of 2-[6-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum(2+)?
The InChIKey is PJLKCBKYKZYYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N3O.Pt/c40-36-23-9-5-17-30(36)32-19-11-18-31(37-32)27-14-10-15-28(24-27)38-25-39(35-22-8-7-21-34(35)38)33-20-6-4-16-29(33)26-12-2-1-3-13-26;/h1-23,40H;/q-1;+2.
What are the key properties of 2-[6-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum(2+)?
2-[6-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum(2+) has a molecular weight of 709.69 g/mol, XLogP of 7.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum(2+) is sourced from PubChem (CID 168730623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).