3-tert-butyl-7-methyl-2-[[9-(6-methylpyrimidin-4-yl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum

C31H27N4O2Pt- — CID 176606702

IUPAC3-tert-butyl-7-methyl-2-[[9-(6-methylpyrimidin-4-yl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
SMILESCc1cc(-n2c3[c-]c(Oc4nc5c(O)c(C)ccc5cc4C(C)(C)C)ccc3c3ccccc32)ncn1.[Pt]
InChIInChI=1S/C31H27N4O2.Pt/c1-18-10-11-20-15-24(31(3,4)5)30(34-28(20)29(18)36)37-21-12-13-23-22-8-6-7-9-25(22)35(26(23)16-21)27-14-19(2)32-17-33-27;/h6-15,17,36H,1-5H3;/q-1;
InChIKeyBDEILUWNXDFVHQ-UHFFFAOYSA-N
MW682.66 g/mol
LogP7.33
Rot. Bonds3

About 3-tert-butyl-7-methyl-2-[[9-(6-methylpyrimidin-4-yl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum

3-tert-butyl-7-methyl-2-[[9-(6-methylpyrimidin-4-yl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum (PubChem CID 176606702) has the molecular formula C31H27N4O2Pt- and a molecular weight of 682.66 g/mol. Its IUPAC name is 3-tert-butyl-7-methyl-2-[[9-(6-methylpyrimidin-4-yl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum.

Molecular Properties

Compound Name3-tert-butyl-7-methyl-2-[[9-(6-methylpyrimidin-4-yl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
PubChem CID176606702
Molecular FormulaC31H27N4O2Pt-
Molecular Weight682.66 g/mol
Exact Mass682.18
IUPAC Name3-tert-butyl-7-methyl-2-[[9-(6-methylpyrimidin-4-yl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
SMILESCc1cc(-n2c3[c-]c(Oc4nc5c(O)c(C)ccc5cc4C(C)(C)C)ccc3c3ccccc32)ncn1.[Pt]
InChIInChI=1S/C31H27N4O2.Pt/c1-18-10-11-20-15-24(31(3,4)5)30(34-28(20)29(18)36)37-21-12-13-23-22-8-6-7-9-25(22)35(26(23)16-21)27-14-19(2)32-17-33-27;/h6-15,17,36H,1-5H3;/q-1;
InChIKeyBDEILUWNXDFVHQ-UHFFFAOYSA-N
XLogP7.33
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.66
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5,7-dimethyl-2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]quinolin-8-ol;platinum
CID 176605982
2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-7-phenylquinolin-8-ol;platinum
CID 176606763
2-[[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzo[g]quinolin-10-ol;platinum
CID 176606872
platinum;2-[(9-quinolin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzo[g]quinolin-10-ol
CID 176606820
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
3-methyl-2-[[6-methyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
CID 176605761
2-[(9-isoquinolin-1-yl-1H-carbazol-1-id-2-yl)oxy]-7-methyl-4-propan-2-ylquinolin-8-ol;platinum
CID 176605775
4,5-dimethyl-2-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
CID 176606282
2-[[9-[4-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-4-methylquinolin-8-ol;platinum
CID 176605947
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
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 3-tert-butyl-7-methyl-2-[[9-(6-methylpyrimidin-4-yl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum?
The IUPAC name of 3-tert-butyl-7-methyl-2-[[9-(6-methylpyrimidin-4-yl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum (CID 176606702) is 3-tert-butyl-7-methyl-2-[[9-(6-methylpyrimidin-4-yl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum.
What is the SMILES notation for 3-tert-butyl-7-methyl-2-[[9-(6-methylpyrimidin-4-yl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum?
The canonical SMILES for 3-tert-butyl-7-methyl-2-[[9-(6-methylpyrimidin-4-yl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum is Cc1cc(-n2c3[c-]c(Oc4nc5c(O)c(C)ccc5cc4C(C)(C)C)ccc3c3ccccc32)ncn1.[Pt].
What is the InChIKey of 3-tert-butyl-7-methyl-2-[[9-(6-methylpyrimidin-4-yl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum?
The InChIKey is BDEILUWNXDFVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N4O2.Pt/c1-18-10-11-20-15-24(31(3,4)5)30(34-28(20)29(18)36)37-21-12-13-23-22-8-6-7-9-25(22)35(26(23)16-21)27-14-19(2)32-17-33-27;/h6-15,17,36H,1-5H3;/q-1;.
What are the key properties of 3-tert-butyl-7-methyl-2-[[9-(6-methylpyrimidin-4-yl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum?
3-tert-butyl-7-methyl-2-[[9-(6-methylpyrimidin-4-yl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum has a molecular weight of 682.66 g/mol, XLogP of 7.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-7-methyl-2-[[9-(6-methylpyrimidin-4-yl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum is sourced from PubChem (CID 176606702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).