6-(3-tert-butylbenzene-6-id-1-yl)-N-[4-tert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-pyridinyl]-4-phenylpyridin-2-amine;platinum

C53H52N5Pt- — CID 162457358

IUPAC6-(3-tert-butylbenzene-6-id-1-yl)-N-[4-tert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-pyridinyl]-4-phenylpyridin-2-amine;platinum
SMILESCC(C)(C)c1cc[c-]c(-c2cc(-c3ccccc3)cc(Nc3cc(C(C)(C)C)cc(-c4nc5ccccc5n4-c4ccc(C(C)(C)C)cc4-c4ccccc4)n3)n2)c1.[Pt]
InChIInChI=1S/C53H52N5.Pt/c1-51(2,3)39-24-18-23-37(29-39)44-30-38(35-19-12-10-13-20-35)31-48(54-44)57-49-34-41(53(7,8)9)33-45(55-49)50-56-43-25-16-17-26-47(43)58(50)46-28-27-40(52(4,5)6)32-42(46)36-21-14-11-15-22-36;/h10-22,24-34H,1-9H3,(H,54,55,57);/q-1;
InChIKeyOAUIBOFGKPOAKY-UHFFFAOYSA-N
MW954.11 g/mol
LogP13.92
Rot. Bonds7

About 6-(3-tert-butylbenzene-6-id-1-yl)-N-[4-tert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-pyridinyl]-4-phenylpyridin-2-amine;platinum

6-(3-tert-butylbenzene-6-id-1-yl)-N-[4-tert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-pyridinyl]-4-phenylpyridin-2-amine;platinum (PubChem CID 162457358) has the molecular formula C53H52N5Pt- and a molecular weight of 954.11 g/mol. Its IUPAC name is 6-(3-tert-butylbenzene-6-id-1-yl)-N-[4-tert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-pyridinyl]-4-phenylpyridin-2-amine;platinum.

Molecular Properties

Compound Name6-(3-tert-butylbenzene-6-id-1-yl)-N-[4-tert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-pyridinyl]-4-phenylpyridin-2-amine;platinum
PubChem CID162457358
Molecular FormulaC53H52N5Pt-
Molecular Weight954.11 g/mol
Exact Mass953.39
IUPAC Name6-(3-tert-butylbenzene-6-id-1-yl)-N-[4-tert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-pyridinyl]-4-phenylpyridin-2-amine;platinum
SMILESCC(C)(C)c1cc[c-]c(-c2cc(-c3ccccc3)cc(Nc3cc(C(C)(C)C)cc(-c4nc5ccccc5n4-c4ccc(C(C)(C)C)cc4-c4ccccc4)n3)n2)c1.[Pt]
InChIInChI=1S/C53H52N5.Pt/c1-51(2,3)39-24-18-23-37(29-39)44-30-38(35-19-12-10-13-20-35)31-48(54-44)57-49-34-41(53(7,8)9)33-45(55-49)50-56-43-25-16-17-26-47(43)58(50)46-28-27-40(52(4,5)6)32-42(46)36-21-14-11-15-22-36;/h10-22,24-34H,1-9H3,(H,54,55,57);/q-1;
InChIKeyOAUIBOFGKPOAKY-UHFFFAOYSA-N
XLogP13.92
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.11
LogP ≤ 513.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-tert-butyl-5-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)-2-(phenoxy)benzimidazole;platinum(2+)
CID 164845210
1-(4-tert-butyl-2-phenylphenyl)-2-[3-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
CID 170983146
2-(7-tert-butyl-3H-dibenzofuran-3-id-4-yl)-1-(4-tert-butyl-2-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane
CID 156657113
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 153481343
4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-6-phenylphenol;platinum
CID 167332715
3-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-[1]benzothiolo[3,2-b]pyridine
CID 176644320
9-[1-(4-tert-butyl-2-phenylphenyl)-4-(4-phenyl-6-phenyl-2-pyridinyl)benzimidazol-2-yl]-4-phenyl-1H-carbazol-1-ide;platinum(2+)
CID 164845274
2-[4-[3-tert-butyl-5-(4-methyl-2-pyridinyl)benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
CID 177093876
8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 156671586
2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-phenylphenyl]benzimidazol-2-yl]-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol;platinum
CID 153477821
2-tert-butyl-6-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-4-methylphenol;2-tert-butyl-6-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-methyl-2-phenylphenyl)benzimidazol-2-yl]-4-methylphenol;platinum
CID 163959578
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
CID 153477493

Frequently Asked Questions

What is the IUPAC name of 6-(3-tert-butylbenzene-6-id-1-yl)-N-[4-tert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-pyridinyl]-4-phenylpyridin-2-amine;platinum?
The IUPAC name of 6-(3-tert-butylbenzene-6-id-1-yl)-N-[4-tert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-pyridinyl]-4-phenylpyridin-2-amine;platinum (CID 162457358) is 6-(3-tert-butylbenzene-6-id-1-yl)-N-[4-tert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-pyridinyl]-4-phenylpyridin-2-amine;platinum.
What is the SMILES notation for 6-(3-tert-butylbenzene-6-id-1-yl)-N-[4-tert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-pyridinyl]-4-phenylpyridin-2-amine;platinum?
The canonical SMILES for 6-(3-tert-butylbenzene-6-id-1-yl)-N-[4-tert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-pyridinyl]-4-phenylpyridin-2-amine;platinum is CC(C)(C)c1cc[c-]c(-c2cc(-c3ccccc3)cc(Nc3cc(C(C)(C)C)cc(-c4nc5ccccc5n4-c4ccc(C(C)(C)C)cc4-c4ccccc4)n3)n2)c1.[Pt].
What is the InChIKey of 6-(3-tert-butylbenzene-6-id-1-yl)-N-[4-tert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-pyridinyl]-4-phenylpyridin-2-amine;platinum?
The InChIKey is OAUIBOFGKPOAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H52N5.Pt/c1-51(2,3)39-24-18-23-37(29-39)44-30-38(35-19-12-10-13-20-35)31-48(54-44)57-49-34-41(53(7,8)9)33-45(55-49)50-56-43-25-16-17-26-47(43)58(50)46-28-27-40(52(4,5)6)32-42(46)36-21-14-11-15-22-36;/h10-22,24-34H,1-9H3,(H,54,55,57);/q-1;.
What are the key properties of 6-(3-tert-butylbenzene-6-id-1-yl)-N-[4-tert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-pyridinyl]-4-phenylpyridin-2-amine;platinum?
6-(3-tert-butylbenzene-6-id-1-yl)-N-[4-tert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-pyridinyl]-4-phenylpyridin-2-amine;platinum has a molecular weight of 954.11 g/mol, XLogP of 13.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-tert-butylbenzene-6-id-1-yl)-N-[4-tert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-pyridinyl]-4-phenylpyridin-2-amine;platinum is sourced from PubChem (CID 162457358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).