5,7-dimethyl-2-[[8-methyl-9-(6-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum

C30H24N3O2Pt- — CID 176606798

IUPAC5,7-dimethyl-2-[[8-methyl-9-(6-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
SMILESCc1cccc(-n2c3[c-]c(Oc4ccc5c(C)cc(C)c(O)c5n4)ccc3c3cccc(C)c32)n1.[Pt]
InChIInChI=1S/C30H24N3O2.Pt/c1-17-7-5-9-24-23-12-11-21(16-25(23)33(29(17)24)26-10-6-8-20(4)31-26)35-27-14-13-22-18(2)15-19(3)30(34)28(22)32-27;/h5-15,34H,1-4H3;/q-1;
InChIKeyPGDJUXRBRHHMGH-UHFFFAOYSA-N
MW653.62 g/mol
LogP7.26
Rot. Bonds3

About 5,7-dimethyl-2-[[8-methyl-9-(6-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum

5,7-dimethyl-2-[[8-methyl-9-(6-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum (PubChem CID 176606798) has the molecular formula C30H24N3O2Pt- and a molecular weight of 653.62 g/mol. Its IUPAC name is 5,7-dimethyl-2-[[8-methyl-9-(6-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum.

Molecular Properties

Compound Name5,7-dimethyl-2-[[8-methyl-9-(6-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
PubChem CID176606798
Molecular FormulaC30H24N3O2Pt-
Molecular Weight653.62 g/mol
Exact Mass653.15
IUPAC Name5,7-dimethyl-2-[[8-methyl-9-(6-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
SMILESCc1cccc(-n2c3[c-]c(Oc4ccc5c(C)cc(C)c(O)c5n4)ccc3c3cccc(C)c32)n1.[Pt]
InChIInChI=1S/C30H24N3O2.Pt/c1-17-7-5-9-24-23-12-11-21(16-25(23)33(29(17)24)26-10-6-8-20(4)31-26)35-27-14-13-22-18(2)15-19(3)30(34)28(22)32-27;/h5-15,34H,1-4H3;/q-1;
InChIKeyPGDJUXRBRHHMGH-UHFFFAOYSA-N
XLogP7.26
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.62
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-[[8-methyl-9-(6-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum?
The IUPAC name of 5,7-dimethyl-2-[[8-methyl-9-(6-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum (CID 176606798) is 5,7-dimethyl-2-[[8-methyl-9-(6-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum.
What is the SMILES notation for 5,7-dimethyl-2-[[8-methyl-9-(6-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum?
The canonical SMILES for 5,7-dimethyl-2-[[8-methyl-9-(6-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum is Cc1cccc(-n2c3[c-]c(Oc4ccc5c(C)cc(C)c(O)c5n4)ccc3c3cccc(C)c32)n1.[Pt].
What is the InChIKey of 5,7-dimethyl-2-[[8-methyl-9-(6-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum?
The InChIKey is PGDJUXRBRHHMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N3O2.Pt/c1-17-7-5-9-24-23-12-11-21(16-25(23)33(29(17)24)26-10-6-8-20(4)31-26)35-27-14-13-22-18(2)15-19(3)30(34)28(22)32-27;/h5-15,34H,1-4H3;/q-1;.
What are the key properties of 5,7-dimethyl-2-[[8-methyl-9-(6-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum?
5,7-dimethyl-2-[[8-methyl-9-(6-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum has a molecular weight of 653.62 g/mol, XLogP of 7.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-[[8-methyl-9-(6-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum is sourced from PubChem (CID 176606798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).