[1-[3-[[4-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum

C43H46N4OPt — CID 169066619

IUPAC[1-[3-[[4-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
SMILESCc1ccnc(N2CCC(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3ccc(Oc4cccc(-n5c(=[Pt])n(C)c6ccccc65)c4)cc32)c1
InChIInChI=1S/C43H46N4O.Pt/c1-29-18-20-44-41(22-29)46-21-19-36(30-23-31(42(2,3)4)25-32(24-30)43(5,6)7)37-17-16-35(27-40(37)46)48-34-13-11-12-33(26-34)47-28-45(8)38-14-9-10-15-39(38)47;/h9-18,20,22-27,36H,19,21H2,1-8H3;
InChIKeyJPVHURSYXQXHBS-UHFFFAOYSA-N
MW829.95 g/mol
LogP10.81
Rot. Bonds5

About [1-[3-[[4-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum

[1-[3-[[4-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum (PubChem CID 169066619) has the molecular formula C43H46N4OPt and a molecular weight of 829.95 g/mol. Its IUPAC name is [1-[3-[[4-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum.

Molecular Properties

Compound Name[1-[3-[[4-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
PubChem CID169066619
Molecular FormulaC43H46N4OPt
Molecular Weight829.95 g/mol
Exact Mass829.33
IUPAC Name[1-[3-[[4-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
SMILESCc1ccnc(N2CCC(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3ccc(Oc4cccc(-n5c(=[Pt])n(C)c6ccccc65)c4)cc32)c1
InChIInChI=1S/C43H46N4O.Pt/c1-29-18-20-44-41(22-29)46-21-19-36(30-23-31(42(2,3)4)25-32(24-30)43(5,6)7)37-17-16-35(27-40(37)46)48-34-13-11-12-33(26-34)47-28-45(8)38-14-9-10-15-39(38)47;/h9-18,20,22-27,36H,19,21H2,1-8H3;
InChIKeyJPVHURSYXQXHBS-UHFFFAOYSA-N
XLogP10.81
TPSA35.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.95
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-[3-[[4-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum with MolForge

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Related Compounds

[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-[3-[[5-(4-tert-butyl-2-pyridinyl)-6H-phenanthridin-3-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
CID 169030749
[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-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-[[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-[[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
[1-[3-[[21-(4-tert-butylphenyl)-8-(4-tert-butyl-2-pyridinyl)-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]-3-(3,5-ditert-butylphenyl)benzimidazol-2-ylidene]platinum
CID 168796723
[1-[3-tert-butyl-5-[5-(4-methyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-6-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum
CID 169030742
[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-(3,5-ditert-butylphenyl)-3-[3-[[9-(4-methyl-2-pyridinyl)-9H-fluoren-2-yl]oxy]phenyl]-2H-benzimidazole
CID 170941010
[1-[3-[N-(2,6-diphenylphenyl)-3-[(4-methyl-2-pyridinyl)oxy]anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
CID 162499989
[1-[3-tert-butyl-5-[[2-methyl-6-(4-methyl-2-pyridinyl)-3,4,4a,5,7,10b-hexahydro-1H-benzo[c][2,6]naphthyridin-7-id-8-yl]oxy]benzene-6-id-1-yl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum
CID 169030713

Frequently Asked Questions

What is the IUPAC name of [1-[3-[[4-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum?
The IUPAC name of [1-[3-[[4-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum (CID 169066619) is [1-[3-[[4-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum.
What is the SMILES notation for [1-[3-[[4-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum?
The canonical SMILES for [1-[3-[[4-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum is Cc1ccnc(N2CCC(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3ccc(Oc4cccc(-n5c(=[Pt])n(C)c6ccccc65)c4)cc32)c1.
What is the InChIKey of [1-[3-[[4-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum?
The InChIKey is JPVHURSYXQXHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H46N4O.Pt/c1-29-18-20-44-41(22-29)46-21-19-36(30-23-31(42(2,3)4)25-32(24-30)43(5,6)7)37-17-16-35(27-40(37)46)48-34-13-11-12-33(26-34)47-28-45(8)38-14-9-10-15-39(38)47;/h9-18,20,22-27,36H,19,21H2,1-8H3;.
What are the key properties of [1-[3-[[4-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum?
[1-[3-[[4-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum has a molecular weight of 829.95 g/mol, XLogP of 10.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[[4-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum is sourced from PubChem (CID 169066619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).