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

C46H24N4OPtS2 — CID 153428790

IUPACplatinum(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
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2cc4c(cc2n3-c2ccccn2)sc2ccccc24)ccc2c3cc4c(cc3n(-c3ccccn3)c12)sc1ccccc14
InChIInChI=1S/C46H24N4OS2.Pt/c1-3-11-41-31(9-1)35-23-33-29-17-15-27(21-37(29)49(39(33)25-43(35)52-41)45-13-5-7-19-47-45)51-28-16-18-30-34-24-36-32-10-2-4-12-42(32)53-44(36)26-40(34)50(38(30)22-28)46-14-6-8-20-48-46;/h1-20,23-26H;/q-2;+2
InChIKeyVFZRPQVNFQZLEP-UHFFFAOYSA-N
MW907.94 g/mol
LogP12.80
Rot. Bonds4

About 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

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 (PubChem CID 153428790) has the molecular formula C46H24N4OPtS2 and a molecular weight of 907.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameplatinum(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
PubChem CID153428790
Molecular FormulaC46H24N4OPtS2
Molecular Weight907.94 g/mol
Exact Mass907.10
IUPAC Nameplatinum(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
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2cc4c(cc2n3-c2ccccn2)sc2ccccc24)ccc2c3cc4c(cc3n(-c3ccccn3)c12)sc1ccccc14
InChIInChI=1S/C46H24N4OS2.Pt/c1-3-11-41-31(9-1)35-23-33-29-17-15-27(21-37(29)49(39(33)25-43(35)52-41)45-13-5-7-19-47-45)51-28-16-18-30-34-24-36-32-10-2-4-12-42(32)53-44(36)26-40(34)50(38(30)22-28)46-14-6-8-20-48-46;/h1-20,23-26H;/q-2;+2
InChIKeyVFZRPQVNFQZLEP-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+);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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2cc4c(cc2n3-c2ccccn2)sc2ccccc24)ccc2c3cc4c(cc3n(-c3ccccn3)c12)sc1ccccc14.
What is the InChIKey of 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?
The InChIKey is VFZRPQVNFQZLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H24N4OS2.Pt/c1-3-11-41-31(9-1)35-23-33-29-17-15-27(21-37(29)49(39(33)25-43(35)52-41)45-13-5-7-19-47-45)51-28-16-18-30-34-24-36-32-10-2-4-12-42(32)53-44(36)26-40(34)50(38(30)22-28)46-14-6-8-20-48-46;/h1-20,23-26H;/q-2;+2.
What are the key properties of 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?
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 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+);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 is sourced from PubChem (CID 153428790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).