9-(4-tert-butyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;platinum(4+)

C36H27N5Pt+2 — CID 86342842

IUPAC9-(4-tert-butyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;platinum(4+)
SMILESCC(C)(C)c1ccnc(-n2c3[c-]c(-n4c5[c-]c(-n6cccn6)ccc5c5ccccc54)ccc3c3ccccc32)c1.[Pt+4]
InChIInChI=1S/C36H27N5.Pt/c1-36(2,3)24-17-19-37-35(21-24)41-32-12-7-5-10-28(32)30-16-14-26(23-34(30)41)40-31-11-6-4-9-27(31)29-15-13-25(22-33(29)40)39-20-8-18-38-39;/h4-21H,1-3H3;/q-2;+4
InChIKeySIVALKGIKRYNEO-UHFFFAOYSA-N
MW724.73 g/mol
LogP8.36
Rot. Bonds3

About 9-(4-tert-butyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;platinum(4+)

9-(4-tert-butyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;platinum(4+) (PubChem CID 86342842) has the molecular formula C36H27N5Pt+2 and a molecular weight of 724.73 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;platinum(4+).

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;platinum(4+)
PubChem CID86342842
Molecular FormulaC36H27N5Pt+2
Molecular Weight724.73 g/mol
Exact Mass724.19
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;platinum(4+)
SMILESCC(C)(C)c1ccnc(-n2c3[c-]c(-n4c5[c-]c(-n6cccn6)ccc5c5ccccc54)ccc3c3ccccc32)c1.[Pt+4]
InChIInChI=1S/C36H27N5.Pt/c1-36(2,3)24-17-19-37-35(21-24)41-32-12-7-5-10-28(32)30-16-14-26(23-34(30)41)40-31-11-6-4-9-27(31)29-15-13-25(22-33(29)40)39-20-8-18-38-39;/h4-21H,1-3H3;/q-2;+4
InChIKeySIVALKGIKRYNEO-UHFFFAOYSA-N
XLogP8.36
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.73
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 164701917
CID 164701917
9-(4-tert-butyl-2-pyridinyl)carbazole
CID 141429222
CID 164701916
CID 164701916
2-chloro-4-phenylpyridine;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+)
CID 160599862
2-(4-carbazol-9-yltriazol-1-yl)-9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)
CID 140729303
5-(4-tert-butyl-2-pyridinyl)-7H-indolo[2,3-b]carbazole
CID 164823619
CID 164701874
CID 164701874
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
tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt
CID 157199810
[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]silane;platinum
CID 162465145
9-[3-tert-butyl-5-(4-carbazol-9-yl-3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2-pyrazol-1-yl-1H-carbazol-1-ide;9-(3-tert-butyl-5-pyrazol-1-ylbenzene-6-id-1-yl)-2-(4-carbazol-9-yl-3-methyl-2H-imidazol-2-id-1-yl)-1H-carbazol-1-ide;9-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-2-(4-carbazol-9-yl-3-methyl-2H-imidazol-2-id-1-yl)-1H-carbazol-1-ide;platinum
CID 159218104
CID 169301900
CID 169301900

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;platinum(4+)?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;platinum(4+) (CID 86342842) is 9-(4-tert-butyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;platinum(4+).
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;platinum(4+)?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;platinum(4+) is CC(C)(C)c1ccnc(-n2c3[c-]c(-n4c5[c-]c(-n6cccn6)ccc5c5ccccc54)ccc3c3ccccc32)c1.[Pt+4].
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;platinum(4+)?
The InChIKey is SIVALKGIKRYNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27N5.Pt/c1-36(2,3)24-17-19-37-35(21-24)41-32-12-7-5-10-28(32)30-16-14-26(23-34(30)41)40-31-11-6-4-9-27(31)29-15-13-25(22-33(29)40)39-20-8-18-38-39;/h4-21H,1-3H3;/q-2;+4.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;platinum(4+)?
9-(4-tert-butyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;platinum(4+) has a molecular weight of 724.73 g/mol, XLogP of 8.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;platinum(4+) is sourced from PubChem (CID 86342842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).