2-bromo-6-methylpyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(6-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-(6-methyl-2-pyridinyl)carbazole;platinum(2+)

C87H71BrN12O3Pt — CID 162169632

IUPAC2-bromo-6-methylpyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(6-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-(6-methyl-2-pyridinyl)carbazole;platinum(2+)
SMILESCc1cc(C)n(-c2cccc(Oc3ccc4c(c3)[nH]c3ccccc34)c2)n1.Cc1cccc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)cc5C)ccc4)ccc3c3ccccc32)n1.Cc1cccc(-n2c3ccccc3c3ccc(Oc4cccc(-n5nc(C)cc5C)c4)cc32)n1.Cc1cccc(Br)n1.[Pt+2]
InChIInChI=1S/C29H24N4O.C29H22N4O.C23H19N3O.C6H6BrN.Pt/c2*1-19-8-6-13-29(30-19)32-27-12-5-4-11-25(27)26-15-14-24(18-28(26)32)34-23-10-7-9-22(17-23)33-21(3)16-20(2)31-33;1-15-12-16(2)26(25-15)17-6-5-7-18(13-17)27-19-10-11-21-20-8-3-4-9-22(20)24-23(21)14-19;1-5-3-2-4-6(7)8-5;/h4-18H,1-3H3;4-16H,1-3H3;3-14,24H,1-2H3;2-4H,1H3;/q;-2;;;+2
InChIKeyHYKHQZOJRGTCDN-UHFFFAOYSA-N
MW1607.59 g/mol
LogP21.83
Rot. Bonds11

About 2-bromo-6-methylpyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(6-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-(6-methyl-2-pyridinyl)carbazole;platinum(2+)

2-bromo-6-methylpyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(6-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-(6-methyl-2-pyridinyl)carbazole;platinum(2+) (PubChem CID 162169632) has the molecular formula C87H71BrN12O3Pt and a molecular weight of 1607.59 g/mol. Its IUPAC name is 2-bromo-6-methylpyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(6-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-(6-methyl-2-pyridinyl)carbazole;platinum(2+).

Molecular Properties

Compound Name2-bromo-6-methylpyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(6-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-(6-methyl-2-pyridinyl)carbazole;platinum(2+)
PubChem CID162169632
Molecular FormulaC87H71BrN12O3Pt
Molecular Weight1607.59 g/mol
Exact Mass1605.46
IUPAC Name2-bromo-6-methylpyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(6-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-(6-methyl-2-pyridinyl)carbazole;platinum(2+)
SMILESCc1cc(C)n(-c2cccc(Oc3ccc4c(c3)[nH]c3ccccc34)c2)n1.Cc1cccc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)cc5C)ccc4)ccc3c3ccccc32)n1.Cc1cccc(-n2c3ccccc3c3ccc(Oc4cccc(-n5nc(C)cc5C)c4)cc32)n1.Cc1cccc(Br)n1.[Pt+2]
InChIInChI=1S/C29H24N4O.C29H22N4O.C23H19N3O.C6H6BrN.Pt/c2*1-19-8-6-13-29(30-19)32-27-12-5-4-11-25(27)26-15-14-24(18-28(26)32)34-23-10-7-9-22(17-23)33-21(3)16-20(2)31-33;1-15-12-16(2)26(25-15)17-6-5-7-18(13-17)27-19-10-11-21-20-8-3-4-9-22(20)24-23(21)14-19;1-5-3-2-4-6(7)8-5;/h4-18H,1-3H3;4-16H,1-3H3;3-14,24H,1-2H3;2-4H,1H3;/q;-2;;;+2
InChIKeyHYKHQZOJRGTCDN-UHFFFAOYSA-N
XLogP21.83
TPSA145.47 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms104
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001607.59
LogP ≤ 521.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methylpyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(6-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-(6-methyl-2-pyridinyl)carbazole;platinum(2+)?
The IUPAC name of 2-bromo-6-methylpyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(6-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-(6-methyl-2-pyridinyl)carbazole;platinum(2+) (CID 162169632) is 2-bromo-6-methylpyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(6-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-(6-methyl-2-pyridinyl)carbazole;platinum(2+).
What is the SMILES notation for 2-bromo-6-methylpyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(6-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-(6-methyl-2-pyridinyl)carbazole;platinum(2+)?
The canonical SMILES for 2-bromo-6-methylpyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(6-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-(6-methyl-2-pyridinyl)carbazole;platinum(2+) is Cc1cc(C)n(-c2cccc(Oc3ccc4c(c3)[nH]c3ccccc34)c2)n1.Cc1cccc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)cc5C)ccc4)ccc3c3ccccc32)n1.Cc1cccc(-n2c3ccccc3c3ccc(Oc4cccc(-n5nc(C)cc5C)c4)cc32)n1.Cc1cccc(Br)n1.[Pt+2].
What is the InChIKey of 2-bromo-6-methylpyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(6-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-(6-methyl-2-pyridinyl)carbazole;platinum(2+)?
The InChIKey is HYKHQZOJRGTCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O.C29H22N4O.C23H19N3O.C6H6BrN.Pt/c2*1-19-8-6-13-29(30-19)32-27-12-5-4-11-25(27)26-15-14-24(18-28(26)32)34-23-10-7-9-22(17-23)33-21(3)16-20(2)31-33;1-15-12-16(2)26(25-15)17-6-5-7-18(13-17)27-19-10-11-21-20-8-3-4-9-22(20)24-23(21)14-19;1-5-3-2-4-6(7)8-5;/h4-18H,1-3H3;4-16H,1-3H3;3-14,24H,1-2H3;2-4H,1H3;/q;-2;;;+2.
What are the key properties of 2-bromo-6-methylpyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(6-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-(6-methyl-2-pyridinyl)carbazole;platinum(2+)?
2-bromo-6-methylpyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(6-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-(6-methyl-2-pyridinyl)carbazole;platinum(2+) has a molecular weight of 1607.59 g/mol, XLogP of 21.83, 11 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methylpyridine;2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(6-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9H-carbazole;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-(6-methyl-2-pyridinyl)carbazole;platinum(2+) is sourced from PubChem (CID 162169632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).