CID 162487227

C36H18N4OPdS — CID 162487227

IUPAC—
SMILES[Pd+2].[c-]1c(Oc2[c-]c3c(cc2)c2cc4sc5ccccc5c4cc2n2ccnc32)ccc2c1c1nccn1c1ccccc21
InChIInChI=1S/C36H18N4OS.Pd/c1-3-7-31-25(5-1)23-11-9-21(17-29(23)35-37-13-15-39(31)35)41-22-10-12-24-27-20-34-28(26-6-2-4-8-33(26)42-34)19-32(27)40-16-14-38-36(40)30(24)18-22;/h1-16,19-20H;/q-2;+2
InChIKeyZYBQYRYJIXIOCG-UHFFFAOYSA-N
MW661.05 g/mol
LogP9.35
Rot. Bonds2

About CID 162487227

CID 162487227 (PubChem CID 162487227) has the molecular formula C36H18N4OPdS and a molecular weight of 661.05 g/mol.

Molecular Properties

Compound NameCID 162487227
PubChem CID162487227
Molecular FormulaC36H18N4OPdS
Molecular Weight661.05 g/mol
Exact Mass660.02
IUPAC Name—
SMILES[Pd+2].[c-]1c(Oc2[c-]c3c(cc2)c2cc4sc5ccccc5c4cc2n2ccnc32)ccc2c1c1nccn1c1ccccc21
InChIInChI=1S/C36H18N4OS.Pd/c1-3-7-31-25(5-1)23-11-9-21(17-29(23)35-37-13-15-39(31)35)41-22-10-12-24-27-20-34-28(26-6-2-4-8-33(26)42-34)19-32(27)40-16-14-38-36(40)30(24)18-22;/h1-16,19-20H;/q-2;+2
InChIKeyZYBQYRYJIXIOCG-UHFFFAOYSA-N
XLogP9.35
TPSA43.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.05
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

6-tert-butyl-11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611149
9-imidazo[1,2-f]phenanthridin-11-yloxy-16-thia-2,5-diazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene
CID 162487172
11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611497
6-phenyl-11-[(7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611246
CID 162487015
CID 162487015
6-(2,6-dimethylphenyl)-11-[[7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611141
CID 162487067
CID 162487067
CID 176782168
CID 176782168
7-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154610827
11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-2,3-diphenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 164703973
9-(3-pyrido[2,3-b]indol-9-ylphenoxy)-16-thia-2,5-diazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene
CID 162487003
CID 162461474
CID 162461474

Frequently Asked Questions

What is the IUPAC name of CID 162487227?
The IUPAC name of CID 162487227 (CID 162487227) is not available.
What is the SMILES notation for CID 162487227?
The canonical SMILES for CID 162487227 is [Pd+2].[c-]1c(Oc2[c-]c3c(cc2)c2cc4sc5ccccc5c4cc2n2ccnc32)ccc2c1c1nccn1c1ccccc21.
What is the InChIKey of CID 162487227?
The InChIKey is ZYBQYRYJIXIOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H18N4OS.Pd/c1-3-7-31-25(5-1)23-11-9-21(17-29(23)35-37-13-15-39(31)35)41-22-10-12-24-27-20-34-28(26-6-2-4-8-33(26)42-34)19-32(27)40-16-14-38-36(40)30(24)18-22;/h1-16,19-20H;/q-2;+2.
What are the key properties of CID 162487227?
CID 162487227 has a molecular weight of 661.05 g/mol, XLogP of 9.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162487227 is sourced from PubChem (CID 162487227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).