CID 176606866

C33H28N3O2Pt- — CID 176606866

IUPAC—
SMILESCC(C)(C)c1ccc(O)c2nc(Oc3[c-]c4c(cc3)c3cccc5c3n4-c3ncccc3C5(C)C)ccc12.[Pt]
InChIInChI=1S/C33H28N3O2.Pt/c1-32(2,3)23-14-15-27(37)29-22(23)13-16-28(35-29)38-19-11-12-20-21-8-6-9-24-30(21)36(26(20)18-19)31-25(33(24,4)5)10-7-17-34-31;/h6-17,37H,1-5H3;/q-1;
InChIKeyHUGONWBUXWCNBH-UHFFFAOYSA-N
MW693.68 g/mol
LogP7.96
Rot. Bonds2

About CID 176606866

CID 176606866 (PubChem CID 176606866) has the molecular formula C33H28N3O2Pt- and a molecular weight of 693.68 g/mol.

Molecular Properties

Compound NameCID 176606866
PubChem CID176606866
Molecular FormulaC33H28N3O2Pt-
Molecular Weight693.68 g/mol
Exact Mass693.18
IUPAC Name—
SMILESCC(C)(C)c1ccc(O)c2nc(Oc3[c-]c4c(cc3)c3cccc5c3n4-c3ncccc3C5(C)C)ccc12.[Pt]
InChIInChI=1S/C33H28N3O2.Pt/c1-32(2,3)23-14-15-27(37)29-22(23)13-16-28(35-29)38-19-11-12-20-21-8-6-9-24-30(21)36(26(20)18-19)31-25(33(24,4)5)10-7-17-34-31;/h6-17,37H,1-5H3;/q-1;
InChIKeyHUGONWBUXWCNBH-UHFFFAOYSA-N
XLogP7.96
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.68
LogP ≤ 57.96
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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Related Compounds

platinum;2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-5-(trifluoromethyl)quinolin-8-ol
CID 176606884
CID 164704066
CID 164704066
8-tert-butyl-6-[[8-methyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-1,5-naphthyridin-4-ol;platinum
CID 176605913
CID 157216232
CID 157216232
5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-4-propan-2-yl-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
CID 176606680
CID 164703902
CID 164703902
5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoline-8-thiolate;platinum(2+)
CID 176606440
4-tert-butyl-7-methyl-2-[(8-propan-2-yl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]quinolin-8-ol;platinum
CID 176606075
2-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylquinolin-8-ol;platinum
CID 176606757
5-tert-butyl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606050
2-[[9-(3-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4,6-di(propan-2-yl)quinolin-8-ol;platinum
CID 176605939
5,7-dimethyl-2-[[8-methyl-9-(6-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
CID 176606798

Frequently Asked Questions

What is the IUPAC name of CID 176606866?
The IUPAC name of CID 176606866 (CID 176606866) is not available.
What is the SMILES notation for CID 176606866?
The canonical SMILES for CID 176606866 is CC(C)(C)c1ccc(O)c2nc(Oc3[c-]c4c(cc3)c3cccc5c3n4-c3ncccc3C5(C)C)ccc12.[Pt].
What is the InChIKey of CID 176606866?
The InChIKey is HUGONWBUXWCNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N3O2.Pt/c1-32(2,3)23-14-15-27(37)29-22(23)13-16-28(35-29)38-19-11-12-20-21-8-6-9-24-30(21)36(26(20)18-19)31-25(33(24,4)5)10-7-17-34-31;/h6-17,37H,1-5H3;/q-1;.
What are the key properties of CID 176606866?
CID 176606866 has a molecular weight of 693.68 g/mol, XLogP of 7.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176606866 is sourced from PubChem (CID 176606866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).