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

C46H24N4OPtS2 — CID 147287920

IUPACplatinum(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
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccc4sc5ccccc5c4c2n3-c2ccccn2)ccc2c3ccc4sc5ccccc5c4c3n(-c3ccccn3)c12
InChIInChI=1S/C46H24N4OS2.Pt/c1-3-11-37-33(9-1)43-39(52-37)21-19-31-29-17-15-27(25-35(29)49(45(31)43)41-13-5-7-23-47-41)51-28-16-18-30-32-20-22-40-44(34-10-2-4-12-38(34)53-40)46(32)50(36(30)26-28)42-14-6-8-24-48-42;/h1-24H;/q-2;+2
InChIKeyQLYUZQBTDYUSHF-UHFFFAOYSA-N
MW907.94 g/mol
LogP12.80
Rot. Bonds4

About 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

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 (PubChem CID 147287920) has the molecular formula C46H24N4OPtS2 and a molecular weight of 907.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameplatinum(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
PubChem CID147287920
Molecular FormulaC46H24N4OPtS2
Molecular Weight907.94 g/mol
Exact Mass907.10
IUPAC Nameplatinum(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
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccc4sc5ccccc5c4c2n3-c2ccccn2)ccc2c3ccc4sc5ccccc5c4c3n(-c3ccccn3)c12
InChIInChI=1S/C46H24N4OS2.Pt/c1-3-11-37-33(9-1)43-39(52-37)21-19-31-29-17-15-27(25-35(29)49(45(31)43)41-13-5-7-23-47-41)51-28-16-18-30-32-20-22-40-44(34-10-2-4-12-38(34)53-40)46(32)50(36(30)26-28)42-14-6-8-24-48-42;/h1-24H;/q-2;+2
InChIKeyQLYUZQBTDYUSHF-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-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 with MolForge

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Related Compounds

12-[5-([1]Benzothiolo[3,2-a]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridin-2-yl]-[1]benzothiolo[3,2-a]carbazole
CID 146393960
5-Pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole
CID 58058968
3-[6-[6-(6-Dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole
CID 58059079
1-[3-[9-([1]Benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
CID 58479583
5-[4-(3,4-Dihydro-[1]benzothiolo[3,2-c]carbazol-5-yl)-6-pyrimidin-5-yl-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 66585213
5-[4-(7a,7b,11a,12a-Tetrahydro-[1]benzothiolo[3,2-c]carbazol-5-yl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]-3,4-dihydro-[1]benzothiolo[3,2-c]carbazole
CID 66585214
5-[4-(3,4-Dihydro-[1]benzothiolo[3,2-c]carbazol-5-yl)-6-(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 66585332
6,24-Bis(5-quinolin-2-yl-2-pyridinyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 68170714
10,20-Diphenyl-6,24-bis(5-quinolin-2-yl-2-pyridinyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene
CID 88856260
20-(1,6-Naphthyridin-7-yl)-16-phenyl-9-thia-15,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 89862264
20-(1,6-Naphthyridin-5-yl)-16-phenyl-9-thia-15,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 89862580
10-(1,6-Naphthyridin-5-yl)-7-phenyl-14-thia-5,10-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 89862604

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccc4sc5ccccc5c4c2n3-c2ccccn2)ccc2c3ccc4sc5ccccc5c4c3n(-c3ccccn3)c12.
What is the InChIKey of 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?
The InChIKey is QLYUZQBTDYUSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H24N4OS2.Pt/c1-3-11-37-33(9-1)43-39(52-37)21-19-31-29-17-15-27(25-35(29)49(45(31)43)41-13-5-7-23-47-41)51-28-16-18-30-32-20-22-40-44(34-10-2-4-12-38(34)53-40)46(32)50(36(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-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?
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 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-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 is sourced from PubChem (CID 147287920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).