[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

C59H52N4OPt-2 — CID 169066427

IUPAC[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
SMILESCC(C)(C)c1ccnc(N2CCCc3c2[c-]c(Oc2[c-]c(-n4c(=[Pt])n(-c5c(-c6ccccc6)cc(C(C)(C)C)cc5-c5ccccc5)c5ccccc54)ccc2)cc3-c2ccccc2)c1
InChIInChI=1S/C59H52N4O.Pt/c1-58(2,3)44-31-32-60-56(36-44)61-33-19-28-49-50(41-20-10-7-11-21-41)38-48(39-55(49)61)64-47-27-18-26-46(37-47)62-40-63(54-30-17-16-29-53(54)62)57-51(42-22-12-8-13-23-42)34-45(59(4,5)6)35-52(57)43-24-14-9-15-25-43;/h7-18,20-27,29-32,34-36,38H,19,28,33H2,1-6H3;/q-2;
InChIKeyNLNBNFNQYQLWBE-UHFFFAOYSA-N
MW1028.17 g/mol
LogP14.97
Rot. Bonds8

About [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

[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 (PubChem CID 169066427) has the molecular formula C59H52N4OPt-2 and a molecular weight of 1028.17 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID169066427
Molecular FormulaC59H52N4OPt-2
Molecular Weight1028.17 g/mol
Exact Mass1027.38
IUPAC Name[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
SMILESCC(C)(C)c1ccnc(N2CCCc3c2[c-]c(Oc2[c-]c(-n4c(=[Pt])n(-c5c(-c6ccccc6)cc(C(C)(C)C)cc5-c5ccccc5)c5ccccc54)ccc2)cc3-c2ccccc2)c1
InChIInChI=1S/C59H52N4O.Pt/c1-58(2,3)44-31-32-60-56(36-44)61-33-19-28-49-50(41-20-10-7-11-21-41)38-48(39-55(49)61)64-47-27-18-26-46(37-47)62-40-63(54-30-17-16-29-53(54)62)57-51(42-22-12-8-13-23-42)34-45(59(4,5)6)35-52(57)43-24-14-9-15-25-43;/h7-18,20-27,29-32,34-36,38H,19,28,33H2,1-6H3;/q-2;
InChIKeyNLNBNFNQYQLWBE-UHFFFAOYSA-N
XLogP14.97
TPSA35.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001028.17
LogP ≤ 514.97
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)-5-phenyl-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)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
CID 169066476
[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-(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-[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-[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-(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-(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-[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-[[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
CID 168796798
CID 168796798

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(C)(C)c1ccnc(N2CCCc3c2[c-]c(Oc2[c-]c(-n4c(=[Pt])n(-c5c(-c6ccccc6)cc(C(C)(C)C)cc5-c5ccccc5)c5ccccc54)ccc2)cc3-c2ccccc2)c1.
What is the InChIKey of [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?
The InChIKey is NLNBNFNQYQLWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H52N4O.Pt/c1-58(2,3)44-31-32-60-56(36-44)61-33-19-28-49-50(41-20-10-7-11-21-41)38-48(39-55(49)61)64-47-27-18-26-46(37-47)62-40-63(54-30-17-16-29-53(54)62)57-51(42-22-12-8-13-23-42)34-45(59(4,5)6)35-52(57)43-24-14-9-15-25-43;/h7-18,20-27,29-32,34-36,38H,19,28,33H2,1-6H3;/q-2;.
What are the key properties of [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[1-(4-tert-butyl-2-pyridinyl)-5-phenyl-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)-5-phenyl-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum has a molecular weight of 1028.17 g/mol, XLogP of 14.97, 8 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)-5-phenyl-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 169066427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).