[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

C46H47BN8Pt+2 — CID 86275126

IUPAC[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
SMILESCc1cc(C)c(B(c2cccc(-c3cn(Cc4ccccc4)nn3)c2)c2c(C)cc(C)cc2C)c(C)c1.Cc1ccccn1.[Pt+2].c1ccc(-c2ncn[nH]2)nc1
InChIInChI=1S/C33H34BN3.C7H6N4.C6H7N.Pt/c1-22-15-24(3)32(25(4)16-22)34(33-26(5)17-23(2)18-27(33)6)30-14-10-13-29(19-30)31-21-37(36-35-31)20-28-11-8-7-9-12-28;1-2-4-8-6(3-1)7-9-5-10-11-7;1-6-4-2-3-5-7-6;/h7-19,21H,20H2,1-6H3;1-5H,(H,9,10,11);2-5H,1H3;/q;;;+2
InChIKeyWPXKETQETBFGMA-UHFFFAOYSA-N
MW917.83 g/mol
LogP7.61
Rot. Bonds7

About [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

[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 (PubChem CID 86275126) has the molecular formula C46H47BN8Pt+2 and a molecular weight of 917.83 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID86275126
Molecular FormulaC46H47BN8Pt+2
Molecular Weight917.83 g/mol
Exact Mass917.37
IUPAC Name[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
SMILESCc1cc(C)c(B(c2cccc(-c3cn(Cc4ccccc4)nn3)c2)c2c(C)cc(C)cc2C)c(C)c1.Cc1ccccn1.[Pt+2].c1ccc(-c2ncn[nH]2)nc1
InChIInChI=1S/C33H34BN3.C7H6N4.C6H7N.Pt/c1-22-15-24(3)32(25(4)16-22)34(33-26(5)17-23(2)18-27(33)6)30-14-10-13-29(19-30)31-21-37(36-35-31)20-28-11-8-7-9-12-28;1-2-4-8-6(3-1)7-9-5-10-11-7;1-6-4-2-3-5-7-6;/h7-19,21H,20H2,1-6H3;1-5H,(H,9,10,11);2-5H,1H3;/q;;;+2
InChIKeyWPXKETQETBFGMA-UHFFFAOYSA-N
XLogP7.61
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.83
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-4-(4-tritylphenyl)triazole;platinum(2+);2-(1H-1,2,4-triazol-5-yl)pyridine
CID 86272504
[4-(1-benzyltriazol-4-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 86273447
2-[1-[(4-methylphenyl)methyl]triazol-4-yl]pyridine
CID 102291275
5-(1-benzyltriazol-4-yl)-1H-indazole;1H-indazole
CID 159250307
N-[3-(1-benzyltriazol-4-yl)phenyl]-1-pyridin-2-ylmethanimine
CID 102195601
1-[(3-methylsulfanylphenyl)methyl]-4-phenyltriazole
CID 174984307
1-benzyl-4-(3-ethynylphenyl)triazole
CID 132526695
[3-(1-phenylimidazol-2-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 140712995
(3-bromophenyl)-bis(2,4,6-trimethylphenyl)borane;bromozinc(1+);methane;palladium;2H-pyridin-2-ide;(3-pyridin-2-ylphenyl)-bis(2,4,6-trimethylphenyl)borane;tetrakis(triphenylphosphane)
CID 159243746
1-[(3-benzylphenyl)methyl]-4-phenyltriazole
CID 11993966
1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
1-benzyl-4-(3,5-dimethoxyphenyl)triazole
CID 70640912

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Cc1cc(C)c(B(c2cccc(-c3cn(Cc4ccccc4)nn3)c2)c2c(C)cc(C)cc2C)c(C)c1.Cc1ccccn1.[Pt+2].c1ccc(-c2ncn[nH]2)nc1.
What is the InChIKey of [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?
The InChIKey is WPXKETQETBFGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34BN3.C7H6N4.C6H7N.Pt/c1-22-15-24(3)32(25(4)16-22)34(33-26(5)17-23(2)18-27(33)6)30-14-10-13-29(19-30)31-21-37(36-35-31)20-28-11-8-7-9-12-28;1-2-4-8-6(3-1)7-9-5-10-11-7;1-6-4-2-3-5-7-6;/h7-19,21H,20H2,1-6H3;1-5H,(H,9,10,11);2-5H,1H3;/q;;;+2.
What are the key properties of [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?
[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 has a molecular weight of 917.83 g/mol, XLogP of 7.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 86275126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).