5,7-bis(methylsulfanyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iodozinc(1+)

C17H13IN2S2Zn — CID 58163198

IUPAC5,7-bis(methylsulfanyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iodozinc(1+)
SMILESCSc1cc(SC)c2c(c1)c1ccc[c-]c1c1nccn12.[Zn+]I
InChIInChI=1S/C17H13N2S2.HI.Zn/c1-20-11-9-14-12-5-3-4-6-13(12)17-18-7-8-19(17)16(14)15(10-11)21-2;;/h3-5,7-10H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyPVQCMHBMULSMJH-UHFFFAOYSA-M
MW501.73 g/mol
LogP5.77
Rot. Bonds2

About 5,7-bis(methylsulfanyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iodozinc(1+)

5,7-bis(methylsulfanyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iodozinc(1+) (PubChem CID 58163198) has the molecular formula C17H13IN2S2Zn and a molecular weight of 501.73 g/mol. Its IUPAC name is 5,7-bis(methylsulfanyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iodozinc(1+).

Molecular Properties

Compound Name5,7-bis(methylsulfanyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iodozinc(1+)
PubChem CID58163198
Molecular FormulaC17H13IN2S2Zn
Molecular Weight501.73 g/mol
Exact Mass499.89
IUPAC Name5,7-bis(methylsulfanyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iodozinc(1+)
SMILESCSc1cc(SC)c2c(c1)c1ccc[c-]c1c1nccn12.[Zn+]I
InChIInChI=1S/C17H13N2S2.HI.Zn/c1-20-11-9-14-12-5-3-4-6-13(12)17-18-7-8-19(17)16(14)15(10-11)21-2;;/h3-5,7-10H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyPVQCMHBMULSMJH-UHFFFAOYSA-M
XLogP5.77
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.73
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

magnesium;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iodide
CID 58162949
5,7-bis(methylsulfanyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;N,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-5-amine;N,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-6-amine;hexakis(iridium);5-methylsulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5-pyridin-4-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;5-pyrimidin-5-yl-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 160747608
bromozinc(1+);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 58163088
iridium;7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;praseodymium
CID 59858700
carbanide;N,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-6-amine;platinum(2+);yttrium
CID 58162663
carbanide;iridium;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium
CID 58162854
5-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum
CID 58518069
CID 58944019
CID 58944019
7,10-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-methyl-5-(4-methylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 158846855
5-decyl-2-(2,4-difluorobenzene-6-id-1-yl)pyrimidine;12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 140591531
CID 58943949
CID 58943949
CID 58517988
CID 58517988

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(methylsulfanyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iodozinc(1+)?
The IUPAC name of 5,7-bis(methylsulfanyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iodozinc(1+) (CID 58163198) is 5,7-bis(methylsulfanyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iodozinc(1+).
What is the SMILES notation for 5,7-bis(methylsulfanyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iodozinc(1+)?
The canonical SMILES for 5,7-bis(methylsulfanyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iodozinc(1+) is CSc1cc(SC)c2c(c1)c1ccc[c-]c1c1nccn12.[Zn+]I.
What is the InChIKey of 5,7-bis(methylsulfanyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iodozinc(1+)?
The InChIKey is PVQCMHBMULSMJH-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H13N2S2.HI.Zn/c1-20-11-9-14-12-5-3-4-6-13(12)17-18-7-8-19(17)16(14)15(10-11)21-2;;/h3-5,7-10H,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of 5,7-bis(methylsulfanyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iodozinc(1+)?
5,7-bis(methylsulfanyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iodozinc(1+) has a molecular weight of 501.73 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(methylsulfanyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iodozinc(1+) is sourced from PubChem (CID 58163198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).