5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]methyl]quinolin-8-ol;platinum

C32H28N3OPt- — CID 176606633

IUPAC5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]methyl]quinolin-8-ol;platinum
SMILESCc1ccnc(-n2c3[c-]c(Cc4ccc5c(C(C)(C)C)ccc(O)c5n4)ccc3c3ccccc32)c1.[Pt]
InChIInChI=1S/C32H28N3O.Pt/c1-20-15-16-33-30(17-20)35-27-8-6-5-7-23(27)24-11-9-21(19-28(24)35)18-22-10-12-25-26(32(2,3)4)13-14-29(36)31(25)34-22;/h5-17,36H,18H2,1-4H3;/q-1;
InChIKeyHHVSNHKICPSPAK-UHFFFAOYSA-N
MW665.67 g/mol
LogP7.43
Rot. Bonds3

About 5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]methyl]quinolin-8-ol;platinum

5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]methyl]quinolin-8-ol;platinum (PubChem CID 176606633) has the molecular formula C32H28N3OPt- and a molecular weight of 665.67 g/mol. Its IUPAC name is 5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]methyl]quinolin-8-ol;platinum.

Molecular Properties

Compound Name5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]methyl]quinolin-8-ol;platinum
PubChem CID176606633
Molecular FormulaC32H28N3OPt-
Molecular Weight665.67 g/mol
Exact Mass665.19
IUPAC Name5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]methyl]quinolin-8-ol;platinum
SMILESCc1ccnc(-n2c3[c-]c(Cc4ccc5c(C(C)(C)C)ccc(O)c5n4)ccc3c3ccccc32)c1.[Pt]
InChIInChI=1S/C32H28N3O.Pt/c1-20-15-16-33-30(17-20)35-27-8-6-5-7-23(27)24-11-9-21(19-28(24)35)18-22-10-12-25-26(32(2,3)4)13-14-29(36)31(25)34-22;/h5-17,36H,18H2,1-4H3;/q-1;
InChIKeyHHVSNHKICPSPAK-UHFFFAOYSA-N
XLogP7.43
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.67
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoline-8-thiolate;platinum(2+)
CID 176606440
5-tert-butyl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606050
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
2-[[3-tert-butyl-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]methyl]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
CID 164700877
2-[2-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]propan-2-yl]quinolin-8-ol
CID 176606257
platinum;2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-5-(trifluoromethyl)quinolin-8-ol
CID 176606884
2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-7-phenylquinolin-8-ol;platinum
CID 176606763
2-[[3-[2,6-di(propan-2-yl)phenyl]-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]methyl]-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 164700978
2-[[9-[4-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-4-methylquinolin-8-ol;platinum
CID 176605947
[3-(3-tert-butyl-2,1,3-benzoxadiazol-2-ium-1-yl)benzene-2-id-1-yl]-dimethyl-[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]silane;platinum
CID 162465469
4,6-diethyl-2-[[4-ethyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
CID 176606455

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]methyl]quinolin-8-ol;platinum?
The IUPAC name of 5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]methyl]quinolin-8-ol;platinum (CID 176606633) is 5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]methyl]quinolin-8-ol;platinum.
What is the SMILES notation for 5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]methyl]quinolin-8-ol;platinum?
The canonical SMILES for 5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]methyl]quinolin-8-ol;platinum is Cc1ccnc(-n2c3[c-]c(Cc4ccc5c(C(C)(C)C)ccc(O)c5n4)ccc3c3ccccc32)c1.[Pt].
What is the InChIKey of 5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]methyl]quinolin-8-ol;platinum?
The InChIKey is HHVSNHKICPSPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N3O.Pt/c1-20-15-16-33-30(17-20)35-27-8-6-5-7-23(27)24-11-9-21(19-28(24)35)18-22-10-12-25-26(32(2,3)4)13-14-29(36)31(25)34-22;/h5-17,36H,18H2,1-4H3;/q-1;.
What are the key properties of 5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]methyl]quinolin-8-ol;platinum?
5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]methyl]quinolin-8-ol;platinum has a molecular weight of 665.67 g/mol, XLogP of 7.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]methyl]quinolin-8-ol;platinum is sourced from PubChem (CID 176606633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).