[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum

C53H48N4OPt-2 — CID 169066476

IUPAC[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
SMILESCC(C)(C)c1ccnc(N2CCCc3ccc(Oc4[c-]c(-n5c(=[Pt])n(-c6c(-c7ccccc7)cc(C(C)(C)C)cc6-c6ccccc6)c6ccccc65)ccc4)[c-]c32)c1
InChIInChI=1S/C53H48N4O.Pt/c1-52(2,3)40-28-29-54-50(33-40)55-30-16-21-39-26-27-44(35-49(39)55)58-43-23-15-22-42(34-43)56-36-57(48-25-14-13-24-47(48)56)51-45(37-17-9-7-10-18-37)31-41(53(4,5)6)32-46(51)38-19-11-8-12-20-38;/h7-15,17-20,22-29,31-33H,16,21,30H2,1-6H3;/q-2;
InChIKeyYUQRTFLDFWZROH-UHFFFAOYSA-N
MW952.07 g/mol
LogP13.30
Rot. Bonds7

About [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum

[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum (PubChem CID 169066476) has the molecular formula C53H48N4OPt-2 and a molecular weight of 952.07 g/mol. Its IUPAC name is [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum.

Molecular Properties

Compound Name[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
PubChem CID169066476
Molecular FormulaC53H48N4OPt-2
Molecular Weight952.07 g/mol
Exact Mass951.35
IUPAC Name[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
SMILESCC(C)(C)c1ccnc(N2CCCc3ccc(Oc4[c-]c(-n5c(=[Pt])n(-c6c(-c7ccccc7)cc(C(C)(C)C)cc6-c6ccccc6)c6ccccc65)ccc4)[c-]c32)c1
InChIInChI=1S/C53H48N4O.Pt/c1-52(2,3)40-28-29-54-50(33-40)55-30-16-21-39-26-27-44(35-49(39)55)58-43-23-15-22-42(34-43)56-36-57(48-25-14-13-24-47(48)56)51-45(37-17-9-7-10-18-37)31-41(53(4,5)6)32-46(51)38-19-11-8-12-20-38;/h7-15,17-20,22-29,31-33H,16,21,30H2,1-6H3;/q-2;
InChIKeyYUQRTFLDFWZROH-UHFFFAOYSA-N
XLogP13.30
TPSA35.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500952.07
LogP ≤ 513.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum with MolForge

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Related Compounds

[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[1-(4-tert-butyl-2-pyridinyl)-5-phenyl-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
CID 169066427
[1-[3-[[5-(4-tert-butyl-2-pyridinyl)-8-phenyl-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 169030746
[1-[3-[[5-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 169066460
[1-[3-[[3-(4-tert-butyl-2-pyridinyl)-1a,2,4,7b-tetrahydro-1H-cyclopropa[c]quinolin-4-id-5-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 169030709
CID 168796850
CID 168796850
[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
CID 169030734
[1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-4-methyl-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-6-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 169066649
[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[2',7'-ditert-butyl-10-(4-tert-butyl-2-pyridinyl)-10'-phenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
CID 168796710
[1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 169030671
[1-[3-[[5-(4-tert-butyl-2-pyridinyl)-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum
CID 169030748
[1-[3-[10-(4-tert-butyl-2-pyridinyl)spiro[4H-acridin-4-ide-9,8'-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796768
[1-[3-tert-butyl-5-[7-tert-butyl-10-(4-tert-butyl-2-pyridinyl)-10'-phenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-6-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796780

Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum?
The IUPAC name of [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum (CID 169066476) is [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum.
What is the SMILES notation for [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum?
The canonical SMILES for [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum is CC(C)(C)c1ccnc(N2CCCc3ccc(Oc4[c-]c(-n5c(=[Pt])n(-c6c(-c7ccccc7)cc(C(C)(C)C)cc6-c6ccccc6)c6ccccc65)ccc4)[c-]c32)c1.
What is the InChIKey of [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum?
The InChIKey is YUQRTFLDFWZROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H48N4O.Pt/c1-52(2,3)40-28-29-54-50(33-40)55-30-16-21-39-26-27-44(35-49(39)55)58-43-23-15-22-42(34-43)56-36-57(48-25-14-13-24-47(48)56)51-45(37-17-9-7-10-18-37)31-41(53(4,5)6)32-46(51)38-19-11-8-12-20-38;/h7-15,17-20,22-29,31-33H,16,21,30H2,1-6H3;/q-2;.
What are the key properties of [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum?
[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum has a molecular weight of 952.07 g/mol, XLogP of 13.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 169066476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).