platinum(2+);5-pyridin-2-yl-7-[(5-pyridin-2-yl-6H-[1]benzothiolo[3,2-c]carbazol-6-id-7-yl)oxy]-6H-[1]benzothiolo[3,2-c]carbazol-6-ide

C46H24N4OPtS2 — CID 153428866

IUPACplatinum(2+);5-pyridin-2-yl-7-[(5-pyridin-2-yl-6H-[1]benzothiolo[3,2-c]carbazol-6-id-7-yl)oxy]-6H-[1]benzothiolo[3,2-c]carbazol-6-ide
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(c4ccccc4n3-c3ccccn3)c3sc4ccccc4c23)c2c3ccccc3sc2c2c3ccccc3n(-c3ccccn3)c12
InChIInChI=1S/C46H24N4OS2.Pt/c1-5-17-31-27(13-1)41-33(49(31)39-21-9-11-23-47-39)25-35(43-29-15-3-7-19-37(29)52-45(41)43)51-36-26-34-42(46-44(36)30-16-4-8-20-38(30)53-46)28-14-2-6-18-32(28)50(34)40-22-10-12-24-48-40;/h1-24H;/q-2;+2
InChIKeyOBQMBOOUUWIPIZ-UHFFFAOYSA-N
MW907.94 g/mol
LogP12.80
Rot. Bonds4

About platinum(2+);5-pyridin-2-yl-7-[(5-pyridin-2-yl-6H-[1]benzothiolo[3,2-c]carbazol-6-id-7-yl)oxy]-6H-[1]benzothiolo[3,2-c]carbazol-6-ide

platinum(2+);5-pyridin-2-yl-7-[(5-pyridin-2-yl-6H-[1]benzothiolo[3,2-c]carbazol-6-id-7-yl)oxy]-6H-[1]benzothiolo[3,2-c]carbazol-6-ide (PubChem CID 153428866) has the molecular formula C46H24N4OPtS2 and a molecular weight of 907.94 g/mol. Its IUPAC name is platinum(2+);5-pyridin-2-yl-7-[(5-pyridin-2-yl-6H-[1]benzothiolo[3,2-c]carbazol-6-id-7-yl)oxy]-6H-[1]benzothiolo[3,2-c]carbazol-6-ide.

Molecular Properties

Compound Nameplatinum(2+);5-pyridin-2-yl-7-[(5-pyridin-2-yl-6H-[1]benzothiolo[3,2-c]carbazol-6-id-7-yl)oxy]-6H-[1]benzothiolo[3,2-c]carbazol-6-ide
PubChem CID153428866
Molecular FormulaC46H24N4OPtS2
Molecular Weight907.94 g/mol
Exact Mass907.10
IUPAC Nameplatinum(2+);5-pyridin-2-yl-7-[(5-pyridin-2-yl-6H-[1]benzothiolo[3,2-c]carbazol-6-id-7-yl)oxy]-6H-[1]benzothiolo[3,2-c]carbazol-6-ide
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(c4ccccc4n3-c3ccccn3)c3sc4ccccc4c23)c2c3ccccc3sc2c2c3ccccc3n(-c3ccccn3)c12
InChIInChI=1S/C46H24N4OS2.Pt/c1-5-17-31-27(13-1)41-33(49(31)39-21-9-11-23-47-39)25-35(43-29-15-3-7-19-37(29)52-45(41)43)51-36-26-34-42(46-44(36)30-16-4-8-20-38(30)53-46)28-14-2-6-18-32(28)50(34)40-22-10-12-24-48-40;/h1-24H;/q-2;+2
InChIKeyOBQMBOOUUWIPIZ-UHFFFAOYSA-N
XLogP12.80
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.94
LogP ≤ 512.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze platinum(2+);5-pyridin-2-yl-7-[(5-pyridin-2-yl-6H-[1]benzothiolo[3,2-c]carbazol-6-id-7-yl)oxy]-6H-[1]benzothiolo[3,2-c]carbazol-6-ide with MolForge

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Related Compounds

platinum(2+);12-pyridin-2-yl-10-[(12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-id-10-yl)oxy]-11H-[1]benzothiolo[3,2-a]carbazol-11-ide
CID 147287920
platinum(2+);7-pyridin-2-yl-9-[(7-pyridin-2-yl-8H-[1]benzothiolo[2,3-b]carbazol-8-id-9-yl)oxy]-8H-[1]benzothiolo[2,3-b]carbazol-8-ide
CID 153428790
CID 153428906
CID 153428906
platinum(2+);12-pyridin-2-yl-2-[(12-pyridin-2-yl-1H-[1]benzothiolo[2,3-a]carbazol-1-id-2-yl)oxy]-1H-[1]benzothiolo[2,3-a]carbazol-1-ide
CID 153429055
platinum(2+);11-pyridin-2-yl-9-[(11-pyridin-2-yl-10H-[1]benzothiolo[3,2-b]carbazol-10-id-9-yl)oxy]-10H-[1]benzothiolo[3,2-b]carbazol-10-ide
CID 153429077
CID 153429102
CID 153429102
platinum(2+);5-pyridin-2-yl-3-[(5-pyridin-2-yl-4H-[1]benzothiolo[2,3-g]carbazol-4-id-3-yl)oxy]-4H-[1]benzothiolo[3,2-c]carbazol-4-ide
CID 153429134
N-[2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-3H-dibenzothiophen-3-id-4-yl]-N-phenylpyridin-2-amine;platinum
CID 153431741
N-[4-[[4-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-2-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]-N-phenylpyridin-2-amine;platinum
CID 153431791
N-phenyl-N-[2-[[4-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-2-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]pyridin-2-amine;platinum(2+)
CID 153431824
N-[2-[[4-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-2-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]-N-phenylpyridin-2-amine;platinum
CID 153431898
N-[2-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]-N-phenylpyridin-2-amine;platinum
CID 153431903

Frequently Asked Questions

What is the IUPAC name of platinum(2+);5-pyridin-2-yl-7-[(5-pyridin-2-yl-6H-[1]benzothiolo[3,2-c]carbazol-6-id-7-yl)oxy]-6H-[1]benzothiolo[3,2-c]carbazol-6-ide?
The IUPAC name of platinum(2+);5-pyridin-2-yl-7-[(5-pyridin-2-yl-6H-[1]benzothiolo[3,2-c]carbazol-6-id-7-yl)oxy]-6H-[1]benzothiolo[3,2-c]carbazol-6-ide (CID 153428866) is platinum(2+);5-pyridin-2-yl-7-[(5-pyridin-2-yl-6H-[1]benzothiolo[3,2-c]carbazol-6-id-7-yl)oxy]-6H-[1]benzothiolo[3,2-c]carbazol-6-ide.
What is the SMILES notation for platinum(2+);5-pyridin-2-yl-7-[(5-pyridin-2-yl-6H-[1]benzothiolo[3,2-c]carbazol-6-id-7-yl)oxy]-6H-[1]benzothiolo[3,2-c]carbazol-6-ide?
The canonical SMILES for platinum(2+);5-pyridin-2-yl-7-[(5-pyridin-2-yl-6H-[1]benzothiolo[3,2-c]carbazol-6-id-7-yl)oxy]-6H-[1]benzothiolo[3,2-c]carbazol-6-ide is [Pt+2].[c-]1c(Oc2[c-]c3c(c4ccccc4n3-c3ccccn3)c3sc4ccccc4c23)c2c3ccccc3sc2c2c3ccccc3n(-c3ccccn3)c12.
What is the InChIKey of platinum(2+);5-pyridin-2-yl-7-[(5-pyridin-2-yl-6H-[1]benzothiolo[3,2-c]carbazol-6-id-7-yl)oxy]-6H-[1]benzothiolo[3,2-c]carbazol-6-ide?
The InChIKey is OBQMBOOUUWIPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H24N4OS2.Pt/c1-5-17-31-27(13-1)41-33(49(31)39-21-9-11-23-47-39)25-35(43-29-15-3-7-19-37(29)52-45(41)43)51-36-26-34-42(46-44(36)30-16-4-8-20-38(30)53-46)28-14-2-6-18-32(28)50(34)40-22-10-12-24-48-40;/h1-24H;/q-2;+2.
What are the key properties of platinum(2+);5-pyridin-2-yl-7-[(5-pyridin-2-yl-6H-[1]benzothiolo[3,2-c]carbazol-6-id-7-yl)oxy]-6H-[1]benzothiolo[3,2-c]carbazol-6-ide?
platinum(2+);5-pyridin-2-yl-7-[(5-pyridin-2-yl-6H-[1]benzothiolo[3,2-c]carbazol-6-id-7-yl)oxy]-6H-[1]benzothiolo[3,2-c]carbazol-6-ide has a molecular weight of 907.94 g/mol, XLogP of 12.80, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);5-pyridin-2-yl-7-[(5-pyridin-2-yl-6H-[1]benzothiolo[3,2-c]carbazol-6-id-7-yl)oxy]-6H-[1]benzothiolo[3,2-c]carbazol-6-ide is sourced from PubChem (CID 153428866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).