platinum(2+);6-pyrazol-1-yl-2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole

C36H21N7OPt — CID 142328494

IUPACplatinum(2+);6-pyrazol-1-yl-2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole
SMILES[Pt+2].[c-]1c(-c2ccccn2)cc(-n2cccn2)cc1-n1c2[c-]c(-c3nc4ccc(-n5cccn5)cc4o3)ccc2c2ccccc21
InChIInChI=1S/C36H21N7O.Pt/c1-2-9-33-29(7-1)30-12-10-24(36-40-32-13-11-26(23-35(32)44-36)41-17-5-15-38-41)21-34(30)43(33)28-20-25(31-8-3-4-14-37-31)19-27(22-28)42-18-6-16-39-42;/h1-19,22-23H;/q-2;+2
InChIKeyCBMNXEFVVNXPFN-UHFFFAOYSA-N
MW762.69 g/mol
LogP7.62
Rot. Bonds5

About platinum(2+);6-pyrazol-1-yl-2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole

platinum(2+);6-pyrazol-1-yl-2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole (PubChem CID 142328494) has the molecular formula C36H21N7OPt and a molecular weight of 762.69 g/mol. Its IUPAC name is platinum(2+);6-pyrazol-1-yl-2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Nameplatinum(2+);6-pyrazol-1-yl-2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole
PubChem CID142328494
Molecular FormulaC36H21N7OPt
Molecular Weight762.69 g/mol
Exact Mass762.15
IUPAC Nameplatinum(2+);6-pyrazol-1-yl-2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole
SMILES[Pt+2].[c-]1c(-c2ccccn2)cc(-n2cccn2)cc1-n1c2[c-]c(-c3nc4ccc(-n5cccn5)cc4o3)ccc2c2ccccc21
InChIInChI=1S/C36H21N7O.Pt/c1-2-9-33-29(7-1)30-12-10-24(36-40-32-13-11-26(23-35(32)44-36)41-17-5-15-38-41)21-34(30)43(33)28-20-25(31-8-3-4-14-37-31)19-27(22-28)42-18-6-16-39-42;/h1-19,22-23H;/q-2;+2
InChIKeyCBMNXEFVVNXPFN-UHFFFAOYSA-N
XLogP7.62
TPSA79.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.69
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-(1-Piperidin-4-ylpyrazol-4-yl)-3-(6-pyrrolidin-1-yl-1,3-benzoxazol-2-yl)pyridin-2-amine
CID 44256277
3-(6-Piperidin-1-yl-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 44256279
N-[2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-6-yl]benzamide
CID 72725225
US11247989, Example 158
CID 132186617
2-[5-(1-Methylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazole;hydrochloride
CID 49798417
2-[5-(1-Piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazole;hydrochloride
CID 49798451
2-(5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-3-yl)benzo[d]oxazole tetrahydrochloride
CID 44256477
2-(5-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)benzo[d]oxazole tetrahydrochloride
CID 44256478
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71599260
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 78127771
2-[5-[(4-fluorophenyl)methyl]-1-oxopyridazino[4,5-b]indol-2-yl]-N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide
CID 87056172
4-fluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)indole-3-carboxamide
CID 130234892

Frequently Asked Questions

What is the IUPAC name of platinum(2+);6-pyrazol-1-yl-2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole?
The IUPAC name of platinum(2+);6-pyrazol-1-yl-2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole (CID 142328494) is platinum(2+);6-pyrazol-1-yl-2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole.
What is the SMILES notation for platinum(2+);6-pyrazol-1-yl-2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole?
The canonical SMILES for platinum(2+);6-pyrazol-1-yl-2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole is [Pt+2].[c-]1c(-c2ccccn2)cc(-n2cccn2)cc1-n1c2[c-]c(-c3nc4ccc(-n5cccn5)cc4o3)ccc2c2ccccc21.
What is the InChIKey of platinum(2+);6-pyrazol-1-yl-2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole?
The InChIKey is CBMNXEFVVNXPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21N7O.Pt/c1-2-9-33-29(7-1)30-12-10-24(36-40-32-13-11-26(23-35(32)44-36)41-17-5-15-38-41)21-34(30)43(33)28-20-25(31-8-3-4-14-37-31)19-27(22-28)42-18-6-16-39-42;/h1-19,22-23H;/q-2;+2.
What are the key properties of platinum(2+);6-pyrazol-1-yl-2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole?
platinum(2+);6-pyrazol-1-yl-2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole has a molecular weight of 762.69 g/mol, XLogP of 7.62, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);6-pyrazol-1-yl-2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 142328494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).