1-benzyl-4-(4-tritylphenyl)triazole;platinum(2+);2-(1H-1,2,4-triazol-5-yl)pyridine

C41H33N7Pt+2 — CID 86272504

IUPAC1-benzyl-4-(4-tritylphenyl)triazole;platinum(2+);2-(1H-1,2,4-triazol-5-yl)pyridine
SMILES[Pt+2].c1ccc(-c2ncn[nH]2)nc1.c1ccc(Cn2cc(-c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)nn2)cc1
InChIInChI=1S/C34H27N3.C7H6N4.Pt/c1-5-13-27(14-6-1)25-37-26-33(35-36-37)28-21-23-32(24-22-28)34(29-15-7-2-8-16-29,30-17-9-3-10-18-30)31-19-11-4-12-20-31;1-2-4-8-6(3-1)7-9-5-10-11-7;/h1-24,26H,25H2;1-5H,(H,9,10,11);/q;;+2
InChIKeyYCPOKCGCJURICA-UHFFFAOYSA-N
MW818.84 g/mol
LogP8.24
Rot. Bonds8

About 1-benzyl-4-(4-tritylphenyl)triazole;platinum(2+);2-(1H-1,2,4-triazol-5-yl)pyridine

1-benzyl-4-(4-tritylphenyl)triazole;platinum(2+);2-(1H-1,2,4-triazol-5-yl)pyridine (PubChem CID 86272504) has the molecular formula C41H33N7Pt+2 and a molecular weight of 818.84 g/mol. Its IUPAC name is 1-benzyl-4-(4-tritylphenyl)triazole;platinum(2+);2-(1H-1,2,4-triazol-5-yl)pyridine.

Molecular Properties

Compound Name1-benzyl-4-(4-tritylphenyl)triazole;platinum(2+);2-(1H-1,2,4-triazol-5-yl)pyridine
PubChem CID86272504
Molecular FormulaC41H33N7Pt+2
Molecular Weight818.84 g/mol
Exact Mass818.24
IUPAC Name1-benzyl-4-(4-tritylphenyl)triazole;platinum(2+);2-(1H-1,2,4-triazol-5-yl)pyridine
SMILES[Pt+2].c1ccc(-c2ncn[nH]2)nc1.c1ccc(Cn2cc(-c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)nn2)cc1
InChIInChI=1S/C34H27N3.C7H6N4.Pt/c1-5-13-27(14-6-1)25-37-26-33(35-36-37)28-21-23-32(24-22-28)34(29-15-7-2-8-16-29,30-17-9-3-10-18-30)31-19-11-4-12-20-31;1-2-4-8-6(3-1)7-9-5-10-11-7;/h1-24,26H,25H2;1-5H,(H,9,10,11);/q;;+2
InChIKeyYCPOKCGCJURICA-UHFFFAOYSA-N
XLogP8.24
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.84
LogP ≤ 58.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[3-(1-benzyltriazol-4-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane;2-methylpyridine;platinum(2+);2-(1H-1,2,4-triazol-5-yl)pyridine
CID 86275126
1-benzyl-4-(4-chlorophenyl)triazole
CID 24809363
2-[1-[(4-methylphenyl)methyl]triazol-4-yl]pyridine
CID 102291275
1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyrimidine
CID 147598461
5-(1-benzyltriazol-4-yl)-1H-indazole;1H-indazole
CID 159250307
[4-[(4-phenyltriazol-1-yl)methyl]phenyl]borinic acid
CID 143877814
1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole
CID 150482255
1-[(3-benzylphenyl)methyl]-4-phenyltriazole
CID 11993966
1-[(3-methylsulfanylphenyl)methyl]-4-phenyltriazole
CID 174984307
2-[2-(1-benzyltriazol-4-yl)ethyl]pyridine
CID 112718307
N-[3-(1-benzyltriazol-4-yl)phenyl]-1-pyridin-2-ylmethanimine
CID 102195601

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-tritylphenyl)triazole;platinum(2+);2-(1H-1,2,4-triazol-5-yl)pyridine?
The IUPAC name of 1-benzyl-4-(4-tritylphenyl)triazole;platinum(2+);2-(1H-1,2,4-triazol-5-yl)pyridine (CID 86272504) is 1-benzyl-4-(4-tritylphenyl)triazole;platinum(2+);2-(1H-1,2,4-triazol-5-yl)pyridine.
What is the SMILES notation for 1-benzyl-4-(4-tritylphenyl)triazole;platinum(2+);2-(1H-1,2,4-triazol-5-yl)pyridine?
The canonical SMILES for 1-benzyl-4-(4-tritylphenyl)triazole;platinum(2+);2-(1H-1,2,4-triazol-5-yl)pyridine is [Pt+2].c1ccc(-c2ncn[nH]2)nc1.c1ccc(Cn2cc(-c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)nn2)cc1.
What is the InChIKey of 1-benzyl-4-(4-tritylphenyl)triazole;platinum(2+);2-(1H-1,2,4-triazol-5-yl)pyridine?
The InChIKey is YCPOKCGCJURICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27N3.C7H6N4.Pt/c1-5-13-27(14-6-1)25-37-26-33(35-36-37)28-21-23-32(24-22-28)34(29-15-7-2-8-16-29,30-17-9-3-10-18-30)31-19-11-4-12-20-31;1-2-4-8-6(3-1)7-9-5-10-11-7;/h1-24,26H,25H2;1-5H,(H,9,10,11);/q;;+2.
What are the key properties of 1-benzyl-4-(4-tritylphenyl)triazole;platinum(2+);2-(1H-1,2,4-triazol-5-yl)pyridine?
1-benzyl-4-(4-tritylphenyl)triazole;platinum(2+);2-(1H-1,2,4-triazol-5-yl)pyridine has a molecular weight of 818.84 g/mol, XLogP of 8.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-tritylphenyl)triazole;platinum(2+);2-(1H-1,2,4-triazol-5-yl)pyridine is sourced from PubChem (CID 86272504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).