[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

C59H62N4OPt — CID 169066515

IUPAC[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
SMILESCC(C)(C)c1cc(Oc2ccc3c(c2)N(c2cc(C(C)(C)C)ccn2)C(C)(C)CC3)cc(-n2c(=[Pt])n(-c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3ccccc3)c3ccccc32)c1
InChIInChI=1S/C59H62N4O.Pt/c1-56(2,3)43-29-31-60-54(36-43)63-53-38-47(27-26-42(53)28-30-59(63,10)11)64-48-33-44(57(4,5)6)32-46(37-48)61-39-62(52-25-19-18-24-51(52)61)55-49(40-20-14-12-15-21-40)34-45(58(7,8)9)35-50(55)41-22-16-13-17-23-41;/h12-27,29,31-38H,28,30H2,1-11H3;
InChIKeyNRTDABXYJLRHGI-UHFFFAOYSA-N
MW1038.25 g/mol
LogP15.78
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-(4-tert-butyl-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-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (PubChem CID 169066515) has the molecular formula C59H62N4OPt and a molecular weight of 1038.25 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-(4-tert-butyl-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-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
PubChem CID169066515
Molecular FormulaC59H62N4OPt
Molecular Weight1038.25 g/mol
Exact Mass1037.46
IUPAC Name[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
SMILESCC(C)(C)c1cc(Oc2ccc3c(c2)N(c2cc(C(C)(C)C)ccn2)C(C)(C)CC3)cc(-n2c(=[Pt])n(-c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3ccccc3)c3ccccc32)c1
InChIInChI=1S/C59H62N4O.Pt/c1-56(2,3)43-29-31-60-54(36-43)63-53-38-47(27-26-42(53)28-30-59(63,10)11)64-48-33-44(57(4,5)6)32-46(37-48)61-39-62(52-25-19-18-24-51(52)61)55-49(40-20-14-12-15-21-40)34-45(58(7,8)9)35-50(55)41-22-16-13-17-23-41;/h12-27,29,31-38H,28,30H2,1-11H3;
InChIKeyNRTDABXYJLRHGI-UHFFFAOYSA-N
XLogP15.78
TPSA35.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001038.25
LogP ≤ 515.78
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-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum 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-[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
[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-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-(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-(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-[[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-[[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
[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-[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-(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
[1-[3-[[5-(4-tert-butyl-2-pyridinyl)-6a,7,8,9,10,10a-hexahydro-6H-phenanthridin-3-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 169030595

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-(4-tert-butyl-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-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (CID 169066515) is [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.
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-(4-tert-butyl-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-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is CC(C)(C)c1cc(Oc2ccc3c(c2)N(c2cc(C(C)(C)C)ccn2)C(C)(C)CC3)cc(-n2c(=[Pt])n(-c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3ccccc3)c3ccccc32)c1.
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-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?
The InChIKey is NRTDABXYJLRHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H62N4O.Pt/c1-56(2,3)43-29-31-60-54(36-43)63-53-38-47(27-26-42(53)28-30-59(63,10)11)64-48-33-44(57(4,5)6)32-46(37-48)61-39-62(52-25-19-18-24-51(52)61)55-49(40-20-14-12-15-21-40)34-45(58(7,8)9)35-50(55)41-22-16-13-17-23-41;/h12-27,29,31-38H,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-(4-tert-butyl-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-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum has a molecular weight of 1038.25 g/mol, XLogP of 15.78, 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-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 169066515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).