[1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-2,2-dimethyl-3,4-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

C58H60N4OPt — CID 169066487

IUPAC[1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-2,2-dimethyl-3,4-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
SMILESCc1c(C)c(-c2ccccc2)c(-n2c(=[Pt])n(-c3cc(Oc4ccc5c(c4)N(c4cc(C(C)(C)C)ccn4)C(C)(C)CC5)cc(C(C)(C)C)c3)c3ccccc32)c(-c2ccccc2)c1C
InChIInChI=1S/C58H60N4O.Pt/c1-38-39(2)53(42-20-14-12-15-21-42)55(54(40(38)3)43-22-16-13-17-23-43)61-37-60(49-24-18-19-25-50(49)61)46-32-45(57(7,8)9)33-48(35-46)63-47-27-26-41-28-30-58(10,11)62(51(41)36-47)52-34-44(29-31-59-52)56(4,5)6;/h12-27,29,31-36H,28,30H2,1-11H3;
InChIKeyZAJZUMCMRNINKS-UHFFFAOYSA-N
MW1024.22 g/mol
LogP15.40
Rot. Bonds7

About [1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-2,2-dimethyl-3,4-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

[1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-2,2-dimethyl-3,4-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (PubChem CID 169066487) has the molecular formula C58H60N4OPt and a molecular weight of 1024.22 g/mol. Its IUPAC name is [1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-2,2-dimethyl-3,4-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

Molecular Properties

Compound Name[1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-2,2-dimethyl-3,4-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
PubChem CID169066487
Molecular FormulaC58H60N4OPt
Molecular Weight1024.22 g/mol
Exact Mass1023.44
IUPAC Name[1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-2,2-dimethyl-3,4-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
SMILESCc1c(C)c(-c2ccccc2)c(-n2c(=[Pt])n(-c3cc(Oc4ccc5c(c4)N(c4cc(C(C)(C)C)ccn4)C(C)(C)CC5)cc(C(C)(C)C)c3)c3ccccc32)c(-c2ccccc2)c1C
InChIInChI=1S/C58H60N4O.Pt/c1-38-39(2)53(42-20-14-12-15-21-42)55(54(40(38)3)43-22-16-13-17-23-43)61-37-60(49-24-18-19-25-50(49)61)46-32-45(57(7,8)9)33-48(35-46)63-47-27-26-41-28-30-58(10,11)62(51(41)36-47)52-34-44(29-31-59-52)56(4,5)6;/h12-27,29,31-36H,28,30H2,1-11H3;
InChIKeyZAJZUMCMRNINKS-UHFFFAOYSA-N
XLogP15.40
TPSA35.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001024.22
LogP ≤ 515.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-2,2-dimethyl-3,4-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum with MolForge

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Related Compounds

[1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-2,2-dimethyl-3,4-dihydroquinolin-7-yl]oxy]phenyl]-3-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 169066515
[1-[3-[[1-(4-tert-butyl-2-pyridinyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 169066426
[1-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-10'-(3,4,5-trimethylphenyl)-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796671
[1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-4-methyl-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 169066650
[1-[3-[[10-(4-tert-butyl-2-pyridinyl)-10'-phenyl-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796977
[1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[6a,7,8,9,10,10a-hexahydrophenanthridine-6,1'-cyclohexane]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 169030582
[1-[3-[[1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum
CID 169066594
[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[8-(4-tert-butyl-2-pyridinyl)-21-phenyl-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum
CID 168796851
[1-[3-tert-butyl-5-[5-(4-methyl-2-pyridinyl)spiro[6a,7,8,9,10,10a-hexahydrophenanthridine-6,1'-cyclohexane]-3-yl]oxyphenyl]-3-methylbenzimidazol-2-ylidene]platinum
CID 169030590
[1-[3-[[3,6-ditert-butyl-10'-(4-tert-butyl-2-pyridinyl)-10-phenyl-9,9'-spirobi[acridine]-3'-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796969
[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[10'-(4-tert-butyl-2-pyridinyl)-3,6,10-triphenyl-9,9'-spirobi[acridine]-3'-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum
CID 168796934
[1-[3-[[17,25-ditert-butyl-8-(4-tert-butyl-2-pyridinyl)-21-phenyl-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15(20),16,18,23,25-dodecaen-5-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796644

Frequently Asked Questions

What is the IUPAC name of [1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-2,2-dimethyl-3,4-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?
The IUPAC name of [1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-2,2-dimethyl-3,4-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (CID 169066487) is [1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-2,2-dimethyl-3,4-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.
What is the SMILES notation for [1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-2,2-dimethyl-3,4-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?
The canonical SMILES for [1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-2,2-dimethyl-3,4-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is Cc1c(C)c(-c2ccccc2)c(-n2c(=[Pt])n(-c3cc(Oc4ccc5c(c4)N(c4cc(C(C)(C)C)ccn4)C(C)(C)CC5)cc(C(C)(C)C)c3)c3ccccc32)c(-c2ccccc2)c1C.
What is the InChIKey of [1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-2,2-dimethyl-3,4-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?
The InChIKey is ZAJZUMCMRNINKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H60N4O.Pt/c1-38-39(2)53(42-20-14-12-15-21-42)55(54(40(38)3)43-22-16-13-17-23-43)61-37-60(49-24-18-19-25-50(49)61)46-32-45(57(7,8)9)33-48(35-46)63-47-27-26-41-28-30-58(10,11)62(51(41)36-47)52-34-44(29-31-59-52)56(4,5)6;/h12-27,29,31-36H,28,30H2,1-11H3;.
What are the key properties of [1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-2,2-dimethyl-3,4-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?
[1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-2,2-dimethyl-3,4-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum has a molecular weight of 1024.22 g/mol, XLogP of 15.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-2,2-dimethyl-3,4-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 169066487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).