2-bromo-4-methylpyridine;methane;(methylhydrazinylidene)platinum;9-(4-methyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+)

C74H58BrN13Pt2 — CID 161132484

IUPAC2-bromo-4-methylpyridine;methane;(methylhydrazinylidene)platinum;9-(4-methyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+)
SMILESC.CNN=[Pt].Cc1ccnc(-n2c3[c-]c(-n4c5[c-]c(-n6cccn6)ccc5c5ccccc54)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccc(-n6cccn6)cc54)cc32)c1.Cc1ccnc(Br)c1.[Pt+2]
InChIInChI=1S/C33H23N5.C33H21N5.C6H6BrN.CH4N2.CH4.2Pt/c2*1-22-15-17-34-33(19-22)38-30-10-5-3-8-26(30)28-14-12-24(21-32(28)38)37-29-9-4-2-7-25(29)27-13-11-23(20-31(27)37)36-18-6-16-35-36;1-5-2-3-8-6(7)4-5;1-3-2;;;/h2-21H,1H3;2-19H,1H3;2-4H,1H3;3H,1H3;1H4;;/q;-2;;;;;+2
InChIKeyQIDWDHBCIPHPOD-UHFFFAOYSA-N
MW1599.43 g/mol
LogP17.78
Rot. Bonds7

About 2-bromo-4-methylpyridine;methane;(methylhydrazinylidene)platinum;9-(4-methyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+)

2-bromo-4-methylpyridine;methane;(methylhydrazinylidene)platinum;9-(4-methyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+) (PubChem CID 161132484) has the molecular formula C74H58BrN13Pt2 and a molecular weight of 1599.43 g/mol. Its IUPAC name is 2-bromo-4-methylpyridine;methane;(methylhydrazinylidene)platinum;9-(4-methyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+).

Molecular Properties

Compound Name2-bromo-4-methylpyridine;methane;(methylhydrazinylidene)platinum;9-(4-methyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+)
PubChem CID161132484
Molecular FormulaC74H58BrN13Pt2
Molecular Weight1599.43 g/mol
Exact Mass1597.34
IUPAC Name2-bromo-4-methylpyridine;methane;(methylhydrazinylidene)platinum;9-(4-methyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+)
SMILESC.CNN=[Pt].Cc1ccnc(-n2c3[c-]c(-n4c5[c-]c(-n6cccn6)ccc5c5ccccc54)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccc(-n6cccn6)cc54)cc32)c1.Cc1ccnc(Br)c1.[Pt+2]
InChIInChI=1S/C33H23N5.C33H21N5.C6H6BrN.CH4N2.CH4.2Pt/c2*1-22-15-17-34-33(19-22)38-30-10-5-3-8-26(30)28-14-12-24(21-32(28)38)37-29-9-4-2-7-25(29)27-13-11-23(20-31(27)37)36-18-6-16-35-36;1-5-2-3-8-6(7)4-5;1-3-2;;;/h2-21H,1H3;2-19H,1H3;2-4H,1H3;3H,1H3;1H4;;/q;-2;;;;;+2
InChIKeyQIDWDHBCIPHPOD-UHFFFAOYSA-N
XLogP17.78
TPSA118.42 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms90
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001599.43
LogP ≤ 517.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methylpyridine;methane;(methylhydrazinylidene)platinum;9-(4-methyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+)?
The IUPAC name of 2-bromo-4-methylpyridine;methane;(methylhydrazinylidene)platinum;9-(4-methyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+) (CID 161132484) is 2-bromo-4-methylpyridine;methane;(methylhydrazinylidene)platinum;9-(4-methyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+).
What is the SMILES notation for 2-bromo-4-methylpyridine;methane;(methylhydrazinylidene)platinum;9-(4-methyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+)?
The canonical SMILES for 2-bromo-4-methylpyridine;methane;(methylhydrazinylidene)platinum;9-(4-methyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+) is C.CNN=[Pt].Cc1ccnc(-n2c3[c-]c(-n4c5[c-]c(-n6cccn6)ccc5c5ccccc54)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccc(-n6cccn6)cc54)cc32)c1.Cc1ccnc(Br)c1.[Pt+2].
What is the InChIKey of 2-bromo-4-methylpyridine;methane;(methylhydrazinylidene)platinum;9-(4-methyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+)?
The InChIKey is QIDWDHBCIPHPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N5.C33H21N5.C6H6BrN.CH4N2.CH4.2Pt/c2*1-22-15-17-34-33(19-22)38-30-10-5-3-8-26(30)28-14-12-24(21-32(28)38)37-29-9-4-2-7-25(29)27-13-11-23(20-31(27)37)36-18-6-16-35-36;1-5-2-3-8-6(7)4-5;1-3-2;;;/h2-21H,1H3;2-19H,1H3;2-4H,1H3;3H,1H3;1H4;;/q;-2;;;;;+2.
What are the key properties of 2-bromo-4-methylpyridine;methane;(methylhydrazinylidene)platinum;9-(4-methyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+)?
2-bromo-4-methylpyridine;methane;(methylhydrazinylidene)platinum;9-(4-methyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+) has a molecular weight of 1599.43 g/mol, XLogP of 17.78, 7 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methylpyridine;methane;(methylhydrazinylidene)platinum;9-(4-methyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+) is sourced from PubChem (CID 161132484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).