CID 166570663

C34H19N5OPt-2 — CID 166570663

IUPAC—
SMILES[Pt].[c-]1c2cccc1-c1cn3c4ccccc4n(c3n1)-c1ccccc1-[n+]1[c-]n(c3ccccc31)-c1[c-]c(ccc1)O2
InChIInChI=1S/C34H19N5O.Pt/c1-2-14-29-28(13-1)37-22-38(29)31-16-4-6-18-33(31)39-32-17-5-3-15-30(32)36-21-27(35-34(36)39)23-9-7-11-25(19-23)40-26-12-8-10-24(37)20-26;/h1-18,21H;/q-2;
InChIKeyRSWXEHABYNOHBQ-UHFFFAOYSA-N
MW708.64 g/mol
LogP6.67
Rot. Bonds

About CID 166570663

CID 166570663 (PubChem CID 166570663) has the molecular formula C34H19N5OPt-2 and a molecular weight of 708.64 g/mol.

Molecular Properties

Compound NameCID 166570663
PubChem CID166570663
Molecular FormulaC34H19N5OPt-2
Molecular Weight708.64 g/mol
Exact Mass708.12
IUPAC Name—
SMILES[Pt].[c-]1c2cccc1-c1cn3c4ccccc4n(c3n1)-c1ccccc1-[n+]1[c-]n(c3ccccc31)-c1[c-]c(ccc1)O2
InChIInChI=1S/C34H19N5O.Pt/c1-2-14-29-28(13-1)37-22-38(29)31-16-4-6-18-33(31)39-32-17-5-3-15-30(32)36-21-27(35-34(36)39)23-9-7-11-25(19-23)40-26-12-8-10-24(37)20-26;/h1-18,21H;/q-2;
InChIKeyRSWXEHABYNOHBQ-UHFFFAOYSA-N
XLogP6.67
TPSA40.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.64
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[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
CID 170942391
CID 170942391
3-[3-[3-[3-(2-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2-phenyl-[1,3,2]oxazaborolo[4,5-b]pyridine;platinum
CID 156622889
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
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 169309447
CID 169309447
5-[2-[[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]furo[2,3-c]pyridine;platinum
CID 171415953
CID 170942439
CID 170942439
10-[3-[3-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;platinum
CID 165164157
CID 166564669
CID 166564669
3-(4-tert-butyl-2-pyridinyl)-5-[3-[3-(2-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-(2,6-dimethylphenyl)-1-phenyl-4H-1,3,2-benzodiazaborol-4-ide;platinum
CID 156623015
9-phenyl-1-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)carbazole
CID 154594943

Frequently Asked Questions

What is the IUPAC name of CID 166570663?
The IUPAC name of CID 166570663 (CID 166570663) is not available.
What is the SMILES notation for CID 166570663?
The canonical SMILES for CID 166570663 is [Pt].[c-]1c2cccc1-c1cn3c4ccccc4n(c3n1)-c1ccccc1-[n+]1[c-]n(c3ccccc31)-c1[c-]c(ccc1)O2.
What is the InChIKey of CID 166570663?
The InChIKey is RSWXEHABYNOHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19N5O.Pt/c1-2-14-29-28(13-1)37-22-38(29)31-16-4-6-18-33(31)39-32-17-5-3-15-30(32)36-21-27(35-34(36)39)23-9-7-11-25(19-23)40-26-12-8-10-24(37)20-26;/h1-18,21H;/q-2;.
What are the key properties of CID 166570663?
CID 166570663 has a molecular weight of 708.64 g/mol, XLogP of 6.67, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166570663 is sourced from PubChem (CID 166570663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).