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

C46H24N4OPtS2 — CID 153429055

IUPACplatinum(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
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccc4c5ccccc5sc4c2n3-c2ccccn2)ccc2c3ccc4c5ccccc5sc4c3n(-c3ccccn3)c12
InChIInChI=1S/C46H24N4OS2.Pt/c1-3-11-39-31(9-1)35-21-19-33-29-17-15-27(25-37(29)49(43(33)45(35)52-39)41-13-5-7-23-47-41)51-28-16-18-30-34-20-22-36-32-10-2-4-12-40(32)53-46(36)44(34)50(38(30)26-28)42-14-6-8-24-48-42;/h1-24H;/q-2;+2
InChIKeyDITXCQDCLPNJBZ-UHFFFAOYSA-N
MW907.94 g/mol
LogP12.80
Rot. Bonds4

About 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

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 (PubChem CID 153429055) has the molecular formula C46H24N4OPtS2 and a molecular weight of 907.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameplatinum(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
PubChem CID153429055
Molecular FormulaC46H24N4OPtS2
Molecular Weight907.94 g/mol
Exact Mass907.10
IUPAC Nameplatinum(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
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccc4c5ccccc5sc4c2n3-c2ccccn2)ccc2c3ccc4c5ccccc5sc4c3n(-c3ccccn3)c12
InChIInChI=1S/C46H24N4OS2.Pt/c1-3-11-39-31(9-1)35-21-19-33-29-17-15-27(25-37(29)49(43(33)45(35)52-39)41-13-5-7-23-47-41)51-28-16-18-30-34-20-22-36-32-10-2-4-12-40(32)53-46(36)44(34)50(38(30)26-28)42-14-6-8-24-48-42;/h1-24H;/q-2;+2
InChIKeyDITXCQDCLPNJBZ-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+);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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccc4c5ccccc5sc4c2n3-c2ccccn2)ccc2c3ccc4c5ccccc5sc4c3n(-c3ccccn3)c12.
What is the InChIKey of 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?
The InChIKey is DITXCQDCLPNJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H24N4OS2.Pt/c1-3-11-39-31(9-1)35-21-19-33-29-17-15-27(25-37(29)49(43(33)45(35)52-39)41-13-5-7-23-47-41)51-28-16-18-30-34-20-22-36-32-10-2-4-12-40(32)53-46(36)44(34)50(38(30)26-28)42-14-6-8-24-48-42;/h1-24H;/q-2;+2.
What are the key properties of 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?
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 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+);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 is sourced from PubChem (CID 153429055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).