bis(platinum(2+));3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,10-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(11),2(6),4,8-tetraene;3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,11-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

C60H32N8O2Pt2S4 — CID 157131803

IUPACbis(platinum(2+));3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,10-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(11),2(6),4,8-tetraene;3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,11-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
SMILES[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1-n1ncc2sc3ccsc3c21.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1-n1ncc2sc3cscc3c21
InChIInChI=1S/2C30H16N4OS2.2Pt/c1-2-9-24-22(8-1)23-12-11-21(17-25(23)33(24)28-10-3-4-14-31-28)35-20-7-5-6-19(16-20)34-29-27(18-32-34)37-26-13-15-36-30(26)29;1-2-9-25-22(8-1)23-12-11-21(15-26(23)33(25)29-10-3-4-13-31-29)35-20-7-5-6-19(14-20)34-30-24-17-36-18-28(24)37-27(30)16-32-34;;/h1-15,18H;1-13,16-18H;;/q2*-2;2*+2
InChIKeyWLWLYDFVTMRSES-UHFFFAOYSA-N
MW1415.39 g/mol
LogP16.37
Rot. Bonds8

About bis(platinum(2+));3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,10-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(11),2(6),4,8-tetraene;3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,11-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

bis(platinum(2+));3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,10-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(11),2(6),4,8-tetraene;3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,11-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (PubChem CID 157131803) has the molecular formula C60H32N8O2Pt2S4 and a molecular weight of 1415.39 g/mol. Its IUPAC name is bis(platinum(2+));3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,10-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(11),2(6),4,8-tetraene;3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,11-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.

Molecular Properties

Compound Namebis(platinum(2+));3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,10-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(11),2(6),4,8-tetraene;3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,11-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
PubChem CID157131803
Molecular FormulaC60H32N8O2Pt2S4
Molecular Weight1415.39 g/mol
Exact Mass1414.08
IUPAC Namebis(platinum(2+));3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,10-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(11),2(6),4,8-tetraene;3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,11-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
SMILES[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1-n1ncc2sc3ccsc3c21.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1-n1ncc2sc3cscc3c21
InChIInChI=1S/2C30H16N4OS2.2Pt/c1-2-9-24-22(8-1)23-12-11-21(17-25(23)33(24)28-10-3-4-14-31-28)35-20-7-5-6-19(16-20)34-29-27(18-32-34)37-26-13-15-36-30(26)29;1-2-9-25-22(8-1)23-12-11-21(15-26(23)33(25)29-10-3-4-13-31-29)35-20-7-5-6-19(14-20)34-30-24-17-36-18-28(24)37-27(30)16-32-34;;/h1-15,18H;1-13,16-18H;;/q2*-2;2*+2
InChIKeyWLWLYDFVTMRSES-UHFFFAOYSA-N
XLogP16.37
TPSA89.74 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms76
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001415.39
LogP ≤ 516.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze bis(platinum(2+));3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,10-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(11),2(6),4,8-tetraene;3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,11-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(platinum(2+));3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,10-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(11),2(6),4,8-tetraene;3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,11-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The IUPAC name of bis(platinum(2+));3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,10-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(11),2(6),4,8-tetraene;3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,11-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (CID 157131803) is bis(platinum(2+));3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,10-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(11),2(6),4,8-tetraene;3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,11-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.
What is the SMILES notation for bis(platinum(2+));3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,10-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(11),2(6),4,8-tetraene;3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,11-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The canonical SMILES for bis(platinum(2+));3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,10-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(11),2(6),4,8-tetraene;3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,11-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is [Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1-n1ncc2sc3ccsc3c21.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1-n1ncc2sc3cscc3c21.
What is the InChIKey of bis(platinum(2+));3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,10-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(11),2(6),4,8-tetraene;3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,11-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The InChIKey is WLWLYDFVTMRSES-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H16N4OS2.2Pt/c1-2-9-24-22(8-1)23-12-11-21(17-25(23)33(24)28-10-3-4-14-31-28)35-20-7-5-6-19(16-20)34-29-27(18-32-34)37-26-13-15-36-30(26)29;1-2-9-25-22(8-1)23-12-11-21(15-26(23)33(25)29-10-3-4-13-31-29)35-20-7-5-6-19(14-20)34-30-24-17-36-18-28(24)37-27(30)16-32-34;;/h1-15,18H;1-13,16-18H;;/q2*-2;2*+2.
What are the key properties of bis(platinum(2+));3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,10-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(11),2(6),4,8-tetraene;3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,11-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
bis(platinum(2+));3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,10-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(11),2(6),4,8-tetraene;3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,11-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene has a molecular weight of 1415.39 g/mol, XLogP of 16.37, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(platinum(2+));3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,10-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(11),2(6),4,8-tetraene;3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-7,11-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is sourced from PubChem (CID 157131803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).