CID 153446625

C36H26N5OPt-3 — CID 153446625

IUPAC—
SMILESCn1c(-c2[c-]c(Oc3[c-]c(N4[CH-]N(c5ccccc5)C=N4)ccc3)ccc2)nc(-c2ccccc2)c1-c1ccccc1.[Pt]
InChIInChI=1S/C36H26N5O.Pt/c1-39-35(28-15-7-3-8-16-28)34(27-13-5-2-6-14-27)38-36(39)29-17-11-21-32(23-29)42-33-22-12-20-31(24-33)41-26-40(25-37-41)30-18-9-4-10-19-30;/h2-22,25-26H,1H3;/q-3;
InChIKeyCHWSKJBRBHOTSW-UHFFFAOYSA-N
MW739.72 g/mol
LogP8.20
Rot. Bonds7

About CID 153446625

CID 153446625 (PubChem CID 153446625) has the molecular formula C36H26N5OPt-3 and a molecular weight of 739.72 g/mol.

Molecular Properties

Compound NameCID 153446625
PubChem CID153446625
Molecular FormulaC36H26N5OPt-3
Molecular Weight739.72 g/mol
Exact Mass739.18
IUPAC Name—
SMILESCn1c(-c2[c-]c(Oc3[c-]c(N4[CH-]N(c5ccccc5)C=N4)ccc3)ccc2)nc(-c2ccccc2)c1-c1ccccc1.[Pt]
InChIInChI=1S/C36H26N5O.Pt/c1-39-35(28-15-7-3-8-16-28)34(27-13-5-2-6-14-27)38-36(39)29-17-11-21-32(23-29)42-33-22-12-20-31(24-33)41-26-40(25-37-41)30-18-9-4-10-19-30;/h2-22,25-26H,1H3;/q-3;
InChIKeyCHWSKJBRBHOTSW-UHFFFAOYSA-N
XLogP8.20
TPSA45.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.72
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 153446732
CID 153446732
1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole
CID 102256803
CID 162094965
CID 162094965
1-methyl-2-[3-[3-(1-methyl-6-phenylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-6-phenylbenzimidazole;platinum(2+)
CID 153429035
CID 159512354
CID 159512354
CID 153446649
CID 153446649
1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole
CID 19020129
1-(2,6-diphenylphenyl)-3-[3-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum
CID 164731600
2-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-methyl-5-phenyl-1,3-thiazole;2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-5-pyridin-3-yl-1,3-thiazole;2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-5-pyridin-3-yl-1,3-thiazole;4-methyl-2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-5-phenyl-1,3-thiazole;4-methyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-5-phenyl-1,3-thiazole;platinum;tris(platinum(2+))
CID 163940651
1-methyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;palladium(2+)
CID 162451604
CID 164705419
CID 164705419
CID 155614515
CID 155614515

Frequently Asked Questions

What is the IUPAC name of CID 153446625?
The IUPAC name of CID 153446625 (CID 153446625) is not available.
What is the SMILES notation for CID 153446625?
The canonical SMILES for CID 153446625 is Cn1c(-c2[c-]c(Oc3[c-]c(N4[CH-]N(c5ccccc5)C=N4)ccc3)ccc2)nc(-c2ccccc2)c1-c1ccccc1.[Pt].
What is the InChIKey of CID 153446625?
The InChIKey is CHWSKJBRBHOTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N5O.Pt/c1-39-35(28-15-7-3-8-16-28)34(27-13-5-2-6-14-27)38-36(39)29-17-11-21-32(23-29)42-33-22-12-20-31(24-33)41-26-40(25-37-41)30-18-9-4-10-19-30;/h2-22,25-26H,1H3;/q-3;.
What are the key properties of CID 153446625?
CID 153446625 has a molecular weight of 739.72 g/mol, XLogP of 8.20, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153446625 is sourced from PubChem (CID 153446625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).