CID 155649934

C30H15N3O2PtS — CID 155649934

IUPAC—
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2sc3oc4cccnc4c3c12
InChIInChI=1S/C30H15N3O2S.Pt/c1-2-7-23-20(6-1)21-12-10-19(17-24(21)33(23)27-9-3-4-14-31-27)34-18-11-13-26-22(16-18)28-29-25(8-5-15-32-29)35-30(28)36-26;/h1-15H;/q-2;+2
InChIKeyXVCCGINMDCITSI-UHFFFAOYSA-N
MW676.61 g/mol
LogP8.08
Rot. Bonds3

About CID 155649934

CID 155649934 (PubChem CID 155649934) has the molecular formula C30H15N3O2PtS and a molecular weight of 676.61 g/mol.

Molecular Properties

Compound NameCID 155649934
PubChem CID155649934
Molecular FormulaC30H15N3O2PtS
Molecular Weight676.61 g/mol
Exact Mass676.05
IUPAC Name—
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2sc3oc4cccnc4c3c12
InChIInChI=1S/C30H15N3O2S.Pt/c1-2-7-23-20(6-1)21-12-10-19(17-24(21)33(23)27-9-3-4-14-31-27)34-18-11-13-26-22(16-18)28-29-25(8-5-15-32-29)35-30(28)36-26;/h1-15H;/q-2;+2
InChIKeyXVCCGINMDCITSI-UHFFFAOYSA-N
XLogP8.08
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.61
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 155650074
CID 155650074
CID 155650077
CID 155650077
CID 155650066
CID 155650066
CID 153429014
CID 153429014
10-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+)
CID 176782344
2-methyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+)
CID 153411698
2-[[9-(1-methanidylpyridin-1-ium-2-yl)-1H-carbazol-1-id-2-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
CID 164761033
8-isocyano-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-tetrazolo[1,5-f]phenanthridin-12-ide;platinum(2+)
CID 153411524
8-fluoro-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+)
CID 153411656
CID 164734292
CID 164734292
5-tert-butyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154610586
platinum;2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,6-naphthyridin-8-ol
CID 176606712

Frequently Asked Questions

What is the IUPAC name of CID 155649934?
The IUPAC name of CID 155649934 (CID 155649934) is not available.
What is the SMILES notation for CID 155649934?
The canonical SMILES for CID 155649934 is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2sc3oc4cccnc4c3c12.
What is the InChIKey of CID 155649934?
The InChIKey is XVCCGINMDCITSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H15N3O2S.Pt/c1-2-7-23-20(6-1)21-12-10-19(17-24(21)33(23)27-9-3-4-14-31-27)34-18-11-13-26-22(16-18)28-29-25(8-5-15-32-29)35-30(28)36-26;/h1-15H;/q-2;+2.
What are the key properties of CID 155649934?
CID 155649934 has a molecular weight of 676.61 g/mol, XLogP of 8.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155649934 is sourced from PubChem (CID 155649934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).