N-phenyl-6-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+)

C26H18N4Pt — CID 58704209

IUPACN-phenyl-6-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+)
SMILES[Pt+2].[c-]1ccccc1-c1cccc(N(c2[c-]c(-n3cccn3)ccc2)c2ccccc2)n1
InChIInChI=1S/C26H18N4.Pt/c1-3-10-21(11-4-1)25-16-8-17-26(28-25)30(22-12-5-2-6-13-22)24-15-7-14-23(20-24)29-19-9-18-27-29;/h1-10,12-19H;/q-2;+2
InChIKeyKRLRCEXSIRCKJW-UHFFFAOYSA-N
MW581.54 g/mol
LogP6.00
Rot. Bonds5

About N-phenyl-6-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+)

N-phenyl-6-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+) (PubChem CID 58704209) has the molecular formula C26H18N4Pt and a molecular weight of 581.54 g/mol. Its IUPAC name is N-phenyl-6-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+).

Molecular Properties

Compound NameN-phenyl-6-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+)
PubChem CID58704209
Molecular FormulaC26H18N4Pt
Molecular Weight581.54 g/mol
Exact Mass581.12
IUPAC NameN-phenyl-6-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+)
SMILES[Pt+2].[c-]1ccccc1-c1cccc(N(c2[c-]c(-n3cccn3)ccc2)c2ccccc2)n1
InChIInChI=1S/C26H18N4.Pt/c1-3-10-21(11-4-1)25-16-8-17-26(28-25)30(22-12-5-2-6-13-22)24-15-7-14-23(20-24)29-19-9-18-27-29;/h1-10,12-19H;/q-2;+2
InChIKeyKRLRCEXSIRCKJW-UHFFFAOYSA-N
XLogP6.00
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.54
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(3H-1-benzofuran-3-id-2-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+)
CID 58704096
CID 157186260
CID 157186260
iridium;6-phenylpyridine-2-carboxylic acid;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole
CID 58898340
3-(1,2-benzothiazol-3-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)
CID 58704281
N,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)anthracen-9-amine;platinum(2+)
CID 58704277
iridium;[6-(N-phenylanilino)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanol
CID 58106961
6-(3,4-dihydro-2H-pyrrol-5-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)
CID 58704130
6-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)
CID 58704434
N-phenyl-6-phenyl-N-(2-phenyl-1,2-dihydropyridin-6-yl)pyridin-2-amine;platinum(2+)
CID 170529903
carbanide;3,5-di(pyrazol-1-yl)-4H-pyridin-4-ide;iridium(3+);2-phenylpyridine
CID 58965563
4,6-di(carbazol-9-yl)-N,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrimidin-2-amine;platinum(2+)
CID 177080361
CID 160989478
CID 160989478

Frequently Asked Questions

What is the IUPAC name of N-phenyl-6-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+)?
The IUPAC name of N-phenyl-6-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+) (CID 58704209) is N-phenyl-6-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+).
What is the SMILES notation for N-phenyl-6-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+)?
The canonical SMILES for N-phenyl-6-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+) is [Pt+2].[c-]1ccccc1-c1cccc(N(c2[c-]c(-n3cccn3)ccc2)c2ccccc2)n1.
What is the InChIKey of N-phenyl-6-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+)?
The InChIKey is KRLRCEXSIRCKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4.Pt/c1-3-10-21(11-4-1)25-16-8-17-26(28-25)30(22-12-5-2-6-13-22)24-15-7-14-23(20-24)29-19-9-18-27-29;/h1-10,12-19H;/q-2;+2.
What are the key properties of N-phenyl-6-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+)?
N-phenyl-6-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+) has a molecular weight of 581.54 g/mol, XLogP of 6.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-6-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+) is sourced from PubChem (CID 58704209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).