N-phenyl-N-[4-[[2-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]pyridin-2-amine;platinum(2+)

C46H28N4OPtS2 — CID 153431709

IUPACN-phenyl-N-[4-[[2-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]pyridin-2-amine;platinum(2+)
SMILES[Pt+2].[c-]1c(N(c2ccccc2)c2ccccn2)cc2c(sc3ccccc32)c1Oc1[c-]c(N(c2ccccc2)c2ccccn2)cc2c1sc1ccccc12
InChIInChI=1S/C46H28N4OS2.Pt/c1-3-15-31(16-4-1)49(43-23-11-13-25-47-43)33-27-37-35-19-7-9-21-41(35)52-45(37)39(29-33)51-40-30-34(28-38-36-20-8-10-22-42(36)53-46(38)40)50(32-17-5-2-6-18-32)44-24-12-14-26-48-44;/h1-28H;/q-2;+2
InChIKeyQEYLGGXKFZGWES-UHFFFAOYSA-N
MW911.97 g/mol
LogP13.54
Rot. Bonds8

About N-phenyl-N-[4-[[2-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]pyridin-2-amine;platinum(2+)

N-phenyl-N-[4-[[2-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]pyridin-2-amine;platinum(2+) (PubChem CID 153431709) has the molecular formula C46H28N4OPtS2 and a molecular weight of 911.97 g/mol. Its IUPAC name is N-phenyl-N-[4-[[2-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]pyridin-2-amine;platinum(2+).

Molecular Properties

Compound NameN-phenyl-N-[4-[[2-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]pyridin-2-amine;platinum(2+)
PubChem CID153431709
Molecular FormulaC46H28N4OPtS2
Molecular Weight911.97 g/mol
Exact Mass911.14
IUPAC NameN-phenyl-N-[4-[[2-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]pyridin-2-amine;platinum(2+)
SMILES[Pt+2].[c-]1c(N(c2ccccc2)c2ccccn2)cc2c(sc3ccccc32)c1Oc1[c-]c(N(c2ccccc2)c2ccccn2)cc2c1sc1ccccc12
InChIInChI=1S/C46H28N4OS2.Pt/c1-3-15-31(16-4-1)49(43-23-11-13-25-47-43)33-27-37-35-19-7-9-21-41(35)52-45(37)39(29-33)51-40-30-34(28-38-36-20-8-10-22-42(36)53-46(38)40)50(32-17-5-2-6-18-32)44-24-12-14-26-48-44;/h1-28H;/q-2;+2
InChIKeyQEYLGGXKFZGWES-UHFFFAOYSA-N
XLogP13.54
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.97
LogP ≤ 513.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-phenyl-N-[4-[[2-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]pyridin-2-amine;platinum(2+) with MolForge

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Related Compounds

14,14-Diphenyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-thia-19,21-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;palladium(2+)
CID 140953969
9-[5-(1-Benzothiophen-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;bis(platinum(2+))
CID 145761330
9-[5-(1-Benzothiophen-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;palladium(2+);platinum(2+)
CID 145762214
8-[6-[[6-(1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-2-pyridinyl]-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;platinum(2+)
CID 145840127
6-(3H-dibenzothiophen-3-id-4-yl)-N-[6-(phenoxy)-2-pyridinyl]-N-phenylpyridin-2-amine;platinum(2+)
CID 145840137
2-[[6-(3H-dibenzothiophen-3-id-4-yl)-2-pyridinyl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 145840314
2-[[6-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-yl-2-pyridinyl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 145840334
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

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[[2-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]pyridin-2-amine;platinum(2+)?
The IUPAC name of N-phenyl-N-[4-[[2-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]pyridin-2-amine;platinum(2+) (CID 153431709) is N-phenyl-N-[4-[[2-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]pyridin-2-amine;platinum(2+).
What is the SMILES notation for N-phenyl-N-[4-[[2-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]pyridin-2-amine;platinum(2+)?
The canonical SMILES for N-phenyl-N-[4-[[2-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]pyridin-2-amine;platinum(2+) is [Pt+2].[c-]1c(N(c2ccccc2)c2ccccn2)cc2c(sc3ccccc32)c1Oc1[c-]c(N(c2ccccc2)c2ccccn2)cc2c1sc1ccccc12.
What is the InChIKey of N-phenyl-N-[4-[[2-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]pyridin-2-amine;platinum(2+)?
The InChIKey is QEYLGGXKFZGWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4OS2.Pt/c1-3-15-31(16-4-1)49(43-23-11-13-25-47-43)33-27-37-35-19-7-9-21-41(35)52-45(37)39(29-33)51-40-30-34(28-38-36-20-8-10-22-42(36)53-46(38)40)50(32-17-5-2-6-18-32)44-24-12-14-26-48-44;/h1-28H;/q-2;+2.
What are the key properties of N-phenyl-N-[4-[[2-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]pyridin-2-amine;platinum(2+)?
N-phenyl-N-[4-[[2-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]pyridin-2-amine;platinum(2+) has a molecular weight of 911.97 g/mol, XLogP of 13.54, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[[2-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]pyridin-2-amine;platinum(2+) is sourced from PubChem (CID 153431709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).