[3-[5-(5-methyl-4-phenylpyrazol-1-id-3-yl)pentyl]-1-phenyl-4-(2,4,6-trimethylphenyl)imidazol-2-ylidene]platinum

C66H68N8Pt2-4 — CID 170690860

IUPAC[3-[5-(5-methyl-4-phenylpyrazol-1-id-3-yl)pentyl]-1-phenyl-4-(2,4,6-trimethylphenyl)imidazol-2-ylidene]platinum
SMILESCc1cc(C)c(-c2cn(-c3[c-]cccc3)c(=[Pt])n2CCCCCc2n[n-]c(C)c2-c2ccccc2)c(C)c1.Cc1cc(C)c(-c2cn(-c3[c-]cccc3)c(=[Pt])n2CCCCCc2n[n-]c(C)c2-c2ccccc2)c(C)c1
InChIInChI=1S/2C33H34N4.2Pt/c2*1-24-20-25(2)32(26(3)21-24)31-22-37(29-16-10-6-11-17-29)23-36(31)19-13-7-12-18-30-33(27(4)34-35-30)28-14-8-5-9-15-28;;/h2*5-6,8-11,14-16,20-22H,7,12-13,18-19H2,1-4H3;;/q2*-2;;
InChIKeyKGQQFMPPKNEMFP-UHFFFAOYSA-N
MW1363.48 g/mol
LogP14.98
Rot. Bonds18

About [3-[5-(5-methyl-4-phenylpyrazol-1-id-3-yl)pentyl]-1-phenyl-4-(2,4,6-trimethylphenyl)imidazol-2-ylidene]platinum

[3-[5-(5-methyl-4-phenylpyrazol-1-id-3-yl)pentyl]-1-phenyl-4-(2,4,6-trimethylphenyl)imidazol-2-ylidene]platinum (PubChem CID 170690860) has the molecular formula C66H68N8Pt2-4 and a molecular weight of 1363.48 g/mol. Its IUPAC name is [3-[5-(5-methyl-4-phenylpyrazol-1-id-3-yl)pentyl]-1-phenyl-4-(2,4,6-trimethylphenyl)imidazol-2-ylidene]platinum.

Molecular Properties

Compound Name[3-[5-(5-methyl-4-phenylpyrazol-1-id-3-yl)pentyl]-1-phenyl-4-(2,4,6-trimethylphenyl)imidazol-2-ylidene]platinum
PubChem CID170690860
Molecular FormulaC66H68N8Pt2-4
Molecular Weight1363.48 g/mol
Exact Mass1362.49
IUPAC Name[3-[5-(5-methyl-4-phenylpyrazol-1-id-3-yl)pentyl]-1-phenyl-4-(2,4,6-trimethylphenyl)imidazol-2-ylidene]platinum
SMILESCc1cc(C)c(-c2cn(-c3[c-]cccc3)c(=[Pt])n2CCCCCc2n[n-]c(C)c2-c2ccccc2)c(C)c1.Cc1cc(C)c(-c2cn(-c3[c-]cccc3)c(=[Pt])n2CCCCCc2n[n-]c(C)c2-c2ccccc2)c(C)c1
InChIInChI=1S/2C33H34N4.2Pt/c2*1-24-20-25(2)32(26(3)21-24)31-22-37(29-16-10-6-11-17-29)23-36(31)19-13-7-12-18-30-33(27(4)34-35-30)28-14-8-5-9-15-28;;/h2*5-6,8-11,14-16,20-22H,7,12-13,18-19H2,1-4H3;;/q2*-2;;
InChIKeyKGQQFMPPKNEMFP-UHFFFAOYSA-N
XLogP14.98
TPSA73.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001363.48
LogP ≤ 514.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
1,3,5-trimethyl-2-(2-phenylphenyl)benzene
CID 18795387
1-(3,5-dimethyl-2-phenylphenyl)sulfanyl-3,5-dimethyl-2-phenylbenzene
CID 141085146
iridium;5-methyl-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-phenyl-5-(2,4,6-trimethylphenyl)pyridine
CID 155602165
3-(3-chloro-5-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 81317120
iridium;2-phenylquinoline;1-phenyl-5-(2,4,6-trimethylphenyl)pyrazole
CID 157261228
N-(2-chloro-4,6-dimethylphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790852
2-phenyl-1-[6-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]imidazo[1,2-a]pyridin-4-ium diperchlorate
CID 15588602
1-phenyl-2-(2,4,6-trimethylphenyl)pyrrole
CID 102583859
2-phenyl-1-(2,4,6-trimethylphenyl)pyrrole
CID 101477910
2-(2,4-dimethylphenyl)-3-phenylcycloprop-2-en-1-one
CID 12708779
3,5-dimethyl-2-pyrazol-2-id-3-ylpyridine;iridium(3+);1-methyl-3-phenyl-2H-imidazol-2-ide
CID 168848342

Frequently Asked Questions

What is the IUPAC name of [3-[5-(5-methyl-4-phenylpyrazol-1-id-3-yl)pentyl]-1-phenyl-4-(2,4,6-trimethylphenyl)imidazol-2-ylidene]platinum?
The IUPAC name of [3-[5-(5-methyl-4-phenylpyrazol-1-id-3-yl)pentyl]-1-phenyl-4-(2,4,6-trimethylphenyl)imidazol-2-ylidene]platinum (CID 170690860) is [3-[5-(5-methyl-4-phenylpyrazol-1-id-3-yl)pentyl]-1-phenyl-4-(2,4,6-trimethylphenyl)imidazol-2-ylidene]platinum.
What is the SMILES notation for [3-[5-(5-methyl-4-phenylpyrazol-1-id-3-yl)pentyl]-1-phenyl-4-(2,4,6-trimethylphenyl)imidazol-2-ylidene]platinum?
The canonical SMILES for [3-[5-(5-methyl-4-phenylpyrazol-1-id-3-yl)pentyl]-1-phenyl-4-(2,4,6-trimethylphenyl)imidazol-2-ylidene]platinum is Cc1cc(C)c(-c2cn(-c3[c-]cccc3)c(=[Pt])n2CCCCCc2n[n-]c(C)c2-c2ccccc2)c(C)c1.Cc1cc(C)c(-c2cn(-c3[c-]cccc3)c(=[Pt])n2CCCCCc2n[n-]c(C)c2-c2ccccc2)c(C)c1.
What is the InChIKey of [3-[5-(5-methyl-4-phenylpyrazol-1-id-3-yl)pentyl]-1-phenyl-4-(2,4,6-trimethylphenyl)imidazol-2-ylidene]platinum?
The InChIKey is KGQQFMPPKNEMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H34N4.2Pt/c2*1-24-20-25(2)32(26(3)21-24)31-22-37(29-16-10-6-11-17-29)23-36(31)19-13-7-12-18-30-33(27(4)34-35-30)28-14-8-5-9-15-28;;/h2*5-6,8-11,14-16,20-22H,7,12-13,18-19H2,1-4H3;;/q2*-2;;.
What are the key properties of [3-[5-(5-methyl-4-phenylpyrazol-1-id-3-yl)pentyl]-1-phenyl-4-(2,4,6-trimethylphenyl)imidazol-2-ylidene]platinum?
[3-[5-(5-methyl-4-phenylpyrazol-1-id-3-yl)pentyl]-1-phenyl-4-(2,4,6-trimethylphenyl)imidazol-2-ylidene]platinum has a molecular weight of 1363.48 g/mol, XLogP of 14.98, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(5-methyl-4-phenylpyrazol-1-id-3-yl)pentyl]-1-phenyl-4-(2,4,6-trimethylphenyl)imidazol-2-ylidene]platinum is sourced from PubChem (CID 170690860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).