CID 164721118

C30H16N2O2Pt — CID 164721118

IUPAC—
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(ccc4cccnc43)c3c2oc2ccccc23)cccc1-c1ccccn1
InChIInChI=1S/C30H16N2O2.Pt/c1-2-12-26-23(10-1)28-22-14-13-19-8-6-16-32-29(19)24(22)18-27(30(28)34-26)33-21-9-5-7-20(17-21)25-11-3-4-15-31-25;/h1-16H;/q-2;+2
InChIKeyFHXNSBYXHDWYMY-UHFFFAOYSA-N
MW631.55 g/mol
LogP7.74
Rot. Bonds3

About CID 164721118

CID 164721118 (PubChem CID 164721118) has the molecular formula C30H16N2O2Pt and a molecular weight of 631.55 g/mol.

Molecular Properties

Compound NameCID 164721118
PubChem CID164721118
Molecular FormulaC30H16N2O2Pt
Molecular Weight631.55 g/mol
Exact Mass631.09
IUPAC Name—
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(ccc4cccnc43)c3c2oc2ccccc23)cccc1-c1ccccn1
InChIInChI=1S/C30H16N2O2.Pt/c1-2-12-26-23(10-1)28-22-14-13-19-8-6-16-32-29(19)24(22)18-27(30(28)34-26)33-21-9-5-7-20(17-21)25-11-3-4-15-31-25;/h1-16H;/q-2;+2
InChIKeyFHXNSBYXHDWYMY-UHFFFAOYSA-N
XLogP7.74
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.55
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

CID 164721112
CID 164721112
11-(3-pyridin-2-ylphenoxy)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1,3,5,7,10,12,14(19),15,17,20-decaene
CID 158397199
platinum(2+);3-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]benzene-2-id-1-yl]isoquinoline
CID 153428922
platinum(2+);1-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]benzene-2-id-1-yl]isoquinoline
CID 153429196
CID 171051642
CID 171051642
3-[5-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-f]quinoline
CID 138739098
17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 138661052
CID 164721141
CID 164721141
2-dibenzofuran-4-ylpyridine
CID 59500175
2-(22-pyridin-2-yl-12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl)pyridine
CID 58738539
CID 176588713
CID 176588713
2-(4-dibenzofuran-4-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline
CID 90049857

Frequently Asked Questions

What is the IUPAC name of CID 164721118?
The IUPAC name of CID 164721118 (CID 164721118) is not available.
What is the SMILES notation for CID 164721118?
The canonical SMILES for CID 164721118 is [Pt+2].[c-]1c(Oc2[c-]c3c(ccc4cccnc43)c3c2oc2ccccc23)cccc1-c1ccccn1.
What is the InChIKey of CID 164721118?
The InChIKey is FHXNSBYXHDWYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16N2O2.Pt/c1-2-12-26-23(10-1)28-22-14-13-19-8-6-16-32-29(19)24(22)18-27(30(28)34-26)33-21-9-5-7-20(17-21)25-11-3-4-15-31-25;/h1-16H;/q-2;+2.
What are the key properties of CID 164721118?
CID 164721118 has a molecular weight of 631.55 g/mol, XLogP of 7.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164721118 is sourced from PubChem (CID 164721118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).