2-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylquinolin-8-ol;platinum

C37H38N3O2Pt- — CID 176606757

IUPAC2-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylquinolin-8-ol;platinum
SMILESCC(C)c1ccc(O)c2nc(Oc3[c-]c4c(cc3)c3cc(C(C)(C)C)ccc3n4-c3cc(C(C)(C)C)ccn3)ccc12.[Pt]
InChIInChI=1S/C37H38N3O2.Pt/c1-22(2)26-12-15-32(41)35-28(26)13-16-34(39-35)42-25-10-11-27-29-19-23(36(3,4)5)9-14-30(29)40(31(27)21-25)33-20-24(17-18-38-33)37(6,7)8;/h9-20,22,41H,1-8H3;/q-1;
InChIKeyQMBZVGCBRQJWNX-UHFFFAOYSA-N
MW751.81 g/mol
LogP9.74
Rot. Bonds4

About 2-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylquinolin-8-ol;platinum

2-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylquinolin-8-ol;platinum (PubChem CID 176606757) has the molecular formula C37H38N3O2Pt- and a molecular weight of 751.81 g/mol. Its IUPAC name is 2-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylquinolin-8-ol;platinum.

Molecular Properties

Compound Name2-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylquinolin-8-ol;platinum
PubChem CID176606757
Molecular FormulaC37H38N3O2Pt-
Molecular Weight751.81 g/mol
Exact Mass751.26
IUPAC Name2-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylquinolin-8-ol;platinum
SMILESCC(C)c1ccc(O)c2nc(Oc3[c-]c4c(cc3)c3cc(C(C)(C)C)ccc3n4-c3cc(C(C)(C)C)ccn3)ccc12.[Pt]
InChIInChI=1S/C37H38N3O2.Pt/c1-22(2)26-12-15-32(41)35-28(26)13-16-34(39-35)42-25-10-11-27-29-19-23(36(3,4)5)9-14-30(29)40(31(27)21-25)33-20-24(17-18-38-33)37(6,7)8;/h9-20,22,41H,1-8H3;/q-1;
InChIKeyQMBZVGCBRQJWNX-UHFFFAOYSA-N
XLogP9.74
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.81
LogP ≤ 59.74
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

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
2-[[6-tert-butyl-9-(6-ethyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
CID 176605807
platinum;3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoxalin-5-ol
CID 176606556
4,5-dimethyl-2-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
CID 176606282
6-tert-butyl-4-methyl-2-[[9-(4-propan-2-ylpyrimidin-2-yl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
CID 176606270
6-ethyl-5-phenyl-2-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
CID 176606887
platinum;2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-5-(trifluoromethyl)quinolin-8-ol
CID 176606884
2-[3-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4,4-dimethyl-5H-1,3-oxazole;platinum(2+)
CID 170933227
9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-dimethyl-3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 155651959
2-[6-tert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-8-hydroxyquinoline-5-carbonitrile
CID 176606752
5-phenyl-2-[[9-(6-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
CID 176606647
2-[[9-[4-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-4-methylquinolin-8-ol;platinum
CID 176605947

Frequently Asked Questions

What is the IUPAC name of 2-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylquinolin-8-ol;platinum?
The IUPAC name of 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) is 2-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylquinolin-8-ol;platinum.
What is the SMILES notation for 2-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylquinolin-8-ol;platinum?
The canonical SMILES for 2-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylquinolin-8-ol;platinum is CC(C)c1ccc(O)c2nc(Oc3[c-]c4c(cc3)c3cc(C(C)(C)C)ccc3n4-c3cc(C(C)(C)C)ccn3)ccc12.[Pt].
What is the InChIKey of 2-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylquinolin-8-ol;platinum?
The InChIKey is QMBZVGCBRQJWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38N3O2.Pt/c1-22(2)26-12-15-32(41)35-28(26)13-16-34(39-35)42-25-10-11-27-29-19-23(36(3,4)5)9-14-30(29)40(31(27)21-25)33-20-24(17-18-38-33)37(6,7)8;/h9-20,22,41H,1-8H3;/q-1;.
What are the key properties of 2-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylquinolin-8-ol;platinum?
2-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylquinolin-8-ol;platinum has a molecular weight of 751.81 g/mol, XLogP of 9.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylquinolin-8-ol;platinum is sourced from PubChem (CID 176606757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).