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

About 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

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 (PubChem CID 153429077) has the molecular formula C46H24N4OPtS2 and a molecular weight of 907.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name	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
PubChem CID	153429077
Molecular Formula	C46H24N4OPtS2
Molecular Weight	907.94 g/mol
Exact Mass	907.10
IUPAC Name	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
SMILES	[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2cc4sc5ccccc5c4cc2n3-c2ccccn2)ccc2c3cc4sc5ccccc5c4cc3n(-c3ccccn3)c12
InChI	InChI=1S/C46H24N4OS2.Pt/c1-3-11-41-31(9-1)35-23-39-33(25-43(35)52-41)29-17-15-27(21-37(29)49(39)45-13-5-7-19-47-45)51-28-16-18-30-34-26-44-36(32-10-2-4-12-42(32)53-44)24-40(34)50(38(30)22-28)46-14-6-8-20-48-46;/h1-20,23-26H;/q-2;+2
InChIKey	KGBLZSNNZXCING-UHFFFAOYSA-N
XLogP	12.80
TPSA	44.87 Å²
H-Bond Donors
H-Bond Acceptors	7
Rotatable Bonds	4
Heavy Atoms	54
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	907.94
LogP ≤ 5	12.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2cc4sc5ccccc5c4cc2n3-c2ccccn2)ccc2c3cc4sc5ccccc5c4cc3n(-c3ccccn3)c12.

What is the InChIKey of 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?

The InChIKey is KGBLZSNNZXCING-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H24N4OS2.Pt/c1-3-11-41-31(9-1)35-23-39-33(25-43(35)52-41)29-17-15-27(21-37(29)49(39)45-13-5-7-19-47-45)51-28-16-18-30-34-26-44-36(32-10-2-4-12-42(32)53-44)24-40(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+);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?

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 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+);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 is sourced from PubChem (CID 153429077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).