[1-(2,6-diphenylphenyl)-3-[3-[[10-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2',7',10'-triphenyl-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum

C86H59N5OPt — CID 168796876

IUPAC[1-(2,6-diphenylphenyl)-3-[3-[[10-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2',7',10'-triphenyl-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum
SMILES[2H]c1c([2H])c([2H])c(-c2cnc(N3c4ccccc4C4(c5cc(-c6ccccc6)ccc5N(c5ccccc5)c5ccc(-c6ccccc6)cc54)c4ccc(Oc5cccc(-n6c(=[Pt])n(-c7c(-c8ccccc8)cccc7-c7ccccc7)c7ccccc76)c5)cc43)cc2C)c([2H])c1[2H]
InChIInChI=1S/C86H59N5O.Pt/c1-59-52-84(87-57-73(59)64-34-16-6-17-35-64)91-78-43-21-20-42-74(78)86(76-53-65(60-26-8-2-9-27-60)46-50-79(76)90(67-36-18-7-19-37-67)80-51-47-66(54-77(80)86)61-28-10-3-11-29-61)75-49-48-70(56-83(75)91)92-69-39-24-38-68(55-69)88-58-89(82-45-23-22-44-81(82)88)85-71(62-30-12-4-13-31-62)40-25-41-72(85)63-32-14-5-15-33-63;/h2-57H,1H3;/i6D,16D,17D,34D,35D;
InChIKeyAPZOIQVBSMNBKK-JWROLFKKSA-N
MW1378.56 g/mol
LogP22.28
Rot. Bonds11

About [1-(2,6-diphenylphenyl)-3-[3-[[10-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2',7',10'-triphenyl-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum

[1-(2,6-diphenylphenyl)-3-[3-[[10-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2',7',10'-triphenyl-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum (PubChem CID 168796876) has the molecular formula C86H59N5OPt and a molecular weight of 1378.56 g/mol. Its IUPAC name is [1-(2,6-diphenylphenyl)-3-[3-[[10-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2',7',10'-triphenyl-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum.

Molecular Properties

Compound Name[1-(2,6-diphenylphenyl)-3-[3-[[10-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2',7',10'-triphenyl-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum
PubChem CID168796876
Molecular FormulaC86H59N5OPt
Molecular Weight1378.56 g/mol
Exact Mass1377.47
IUPAC Name[1-(2,6-diphenylphenyl)-3-[3-[[10-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2',7',10'-triphenyl-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum
SMILES[2H]c1c([2H])c([2H])c(-c2cnc(N3c4ccccc4C4(c5cc(-c6ccccc6)ccc5N(c5ccccc5)c5ccc(-c6ccccc6)cc54)c4ccc(Oc5cccc(-n6c(=[Pt])n(-c7c(-c8ccccc8)cccc7-c7ccccc7)c7ccccc76)c5)cc43)cc2C)c([2H])c1[2H]
InChIInChI=1S/C86H59N5O.Pt/c1-59-52-84(87-57-73(59)64-34-16-6-17-35-64)91-78-43-21-20-42-74(78)86(76-53-65(60-26-8-2-9-27-60)46-50-79(76)90(67-36-18-7-19-37-67)80-51-47-66(54-77(80)86)61-28-10-3-11-29-61)75-49-48-70(56-83(75)91)92-69-39-24-38-68(55-69)88-58-89(82-45-23-22-44-81(82)88)85-71(62-30-12-4-13-31-62)40-25-41-72(85)63-32-14-5-15-33-63;/h2-57H,1H3;/i6D,16D,17D,34D,35D;
InChIKeyAPZOIQVBSMNBKK-JWROLFKKSA-N
XLogP22.28
TPSA38.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001378.56
LogP ≤ 522.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-(2,6-diphenylphenyl)-3-[3-[[10-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2',7',10'-triphenyl-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum with MolForge

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Related Compounds

[1-(2,6-diphenylphenyl)-3-[3-[10'-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]spiro[5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine]-3'-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
CID 168796787
[1-(2,6-diphenylphenyl)-3-[3-[10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]spiro[acridine-9,9'-fluorene]-3-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
CID 168796920
[1-[3-[[3,6-ditert-butyl-10'-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-10-phenyl-9,9'-spirobi[acridine]-3'-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796648
[1-[3-[10'-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]spiro[5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine]-3'-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796961
[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-[[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-[[21-(4-tert-butylphenyl)-8-[4-methyl-5-(4-phenylphenyl)-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-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796652
[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-[[4,12-ditert-butyl-8-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-21-phenyl-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9(14),10,12,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796849
[1-[3-[[4,12-ditert-butyl-21-(4-tert-butylphenyl)-8-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9(14),10,12,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796878
[1-[3-[10'-(3,5-ditert-butylphenyl)-10-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]spiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796806
[1-[3-[7-tert-butyl-10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-10'-phenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796748

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-diphenylphenyl)-3-[3-[[10-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2',7',10'-triphenyl-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum?
The IUPAC name of [1-(2,6-diphenylphenyl)-3-[3-[[10-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2',7',10'-triphenyl-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum (CID 168796876) is [1-(2,6-diphenylphenyl)-3-[3-[[10-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2',7',10'-triphenyl-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum.
What is the SMILES notation for [1-(2,6-diphenylphenyl)-3-[3-[[10-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2',7',10'-triphenyl-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum?
The canonical SMILES for [1-(2,6-diphenylphenyl)-3-[3-[[10-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2',7',10'-triphenyl-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum is [2H]c1c([2H])c([2H])c(-c2cnc(N3c4ccccc4C4(c5cc(-c6ccccc6)ccc5N(c5ccccc5)c5ccc(-c6ccccc6)cc54)c4ccc(Oc5cccc(-n6c(=[Pt])n(-c7c(-c8ccccc8)cccc7-c7ccccc7)c7ccccc76)c5)cc43)cc2C)c([2H])c1[2H].
What is the InChIKey of [1-(2,6-diphenylphenyl)-3-[3-[[10-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2',7',10'-triphenyl-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum?
The InChIKey is APZOIQVBSMNBKK-JWROLFKKSA-N. The full InChI is InChI=1S/C86H59N5O.Pt/c1-59-52-84(87-57-73(59)64-34-16-6-17-35-64)91-78-43-21-20-42-74(78)86(76-53-65(60-26-8-2-9-27-60)46-50-79(76)90(67-36-18-7-19-37-67)80-51-47-66(54-77(80)86)61-28-10-3-11-29-61)75-49-48-70(56-83(75)91)92-69-39-24-38-68(55-69)88-58-89(82-45-23-22-44-81(82)88)85-71(62-30-12-4-13-31-62)40-25-41-72(85)63-32-14-5-15-33-63;/h2-57H,1H3;/i6D,16D,17D,34D,35D;.
What are the key properties of [1-(2,6-diphenylphenyl)-3-[3-[[10-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2',7',10'-triphenyl-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum?
[1-(2,6-diphenylphenyl)-3-[3-[[10-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2',7',10'-triphenyl-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum has a molecular weight of 1378.56 g/mol, XLogP of 22.28, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-diphenylphenyl)-3-[3-[[10-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2',7',10'-triphenyl-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 168796876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).