CID 155650074

C30H15N3OPtS2 — CID 155650074

IUPAC—
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2sc3sc4cccnc4c3c12
InChIInChI=1S/C30H15N3OS2.Pt/c1-2-7-23-20(6-1)21-12-10-19(17-24(21)33(23)27-9-3-4-14-31-27)34-18-11-13-25-22(16-18)28-29-26(8-5-15-32-29)36-30(28)35-25;/h1-15H;/q-2;+2
InChIKeyNYBUCKMQWYHGBH-UHFFFAOYSA-N
MW692.68 g/mol
LogP8.55
Rot. Bonds3

About CID 155650074

CID 155650074 (PubChem CID 155650074) has the molecular formula C30H15N3OPtS2 and a molecular weight of 692.68 g/mol.

Molecular Properties

Compound NameCID 155650074
PubChem CID155650074
Molecular FormulaC30H15N3OPtS2
Molecular Weight692.68 g/mol
Exact Mass692.03
IUPAC Name—
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2sc3sc4cccnc4c3c12
InChIInChI=1S/C30H15N3OS2.Pt/c1-2-7-23-20(6-1)21-12-10-19(17-24(21)33(23)27-9-3-4-14-31-27)34-18-11-13-25-22(16-18)28-29-26(8-5-15-32-29)36-30(28)35-25;/h1-15H;/q-2;+2
InChIKeyNYBUCKMQWYHGBH-UHFFFAOYSA-N
XLogP8.55
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.68
LogP ≤ 58.55
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 155649934
CID 155649934
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-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
platinum(2+);5-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
CID 168810845
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
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
2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 164737867
2-[[5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
CID 169021355
8-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154610895

Frequently Asked Questions

What is the IUPAC name of CID 155650074?
The IUPAC name of CID 155650074 (CID 155650074) is not available.
What is the SMILES notation for CID 155650074?
The canonical SMILES for CID 155650074 is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2sc3sc4cccnc4c3c12.
What is the InChIKey of CID 155650074?
The InChIKey is NYBUCKMQWYHGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H15N3OS2.Pt/c1-2-7-23-20(6-1)21-12-10-19(17-24(21)33(23)27-9-3-4-14-31-27)34-18-11-13-25-22(16-18)28-29-26(8-5-15-32-29)36-30(28)35-25;/h1-15H;/q-2;+2.
What are the key properties of CID 155650074?
CID 155650074 has a molecular weight of 692.68 g/mol, XLogP of 8.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155650074 is sourced from PubChem (CID 155650074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).