[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

C87H69N5OPt — CID 168796934

IUPAC[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
SMILESCC(C)(C)c1ccnc(N2c3ccccc3C3(c4ccc(-c5ccccc5)cc4N(c4ccccc4)c4cc(-c5ccccc5)ccc43)c3ccc(Oc4cccc(-n5c(=[Pt])n(-c6c(-c7ccccc7)cc(C(C)(C)C)cc6-c6ccccc6)c6ccccc65)c4)cc32)c1
InChIInChI=1S/C87H69N5O.Pt/c1-85(2,3)65-49-50-88-83(55-65)92-77-40-23-22-39-73(77)87(74-46-43-63(59-27-12-7-13-28-59)51-80(74)91(67-35-20-11-21-36-67)81-52-64(44-47-75(81)87)60-29-14-8-15-30-60)76-48-45-70(57-82(76)92)93-69-38-26-37-68(56-69)89-58-90(79-42-25-24-41-78(79)89)84-71(61-31-16-9-17-32-61)53-66(86(4,5)6)54-72(84)62-33-18-10-19-34-62;/h7-57H,1-6H3;
InChIKeyKQZQPFUULLVQKH-UHFFFAOYSA-N
MW1395.62 g/mol
LogP22.90
Rot. Bonds10

About [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

[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 (PubChem CID 168796934) has the molecular formula C87H69N5OPt and a molecular weight of 1395.62 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID168796934
Molecular FormulaC87H69N5OPt
Molecular Weight1395.62 g/mol
Exact Mass1394.52
IUPAC Name[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
SMILESCC(C)(C)c1ccnc(N2c3ccccc3C3(c4ccc(-c5ccccc5)cc4N(c4ccccc4)c4cc(-c5ccccc5)ccc43)c3ccc(Oc4cccc(-n5c(=[Pt])n(-c6c(-c7ccccc7)cc(C(C)(C)C)cc6-c6ccccc6)c6ccccc65)c4)cc32)c1
InChIInChI=1S/C87H69N5O.Pt/c1-85(2,3)65-49-50-88-83(55-65)92-77-40-23-22-39-73(77)87(74-46-43-63(59-27-12-7-13-28-59)51-80(74)91(67-35-20-11-21-36-67)81-52-64(44-47-75(81)87)60-29-14-8-15-30-60)76-48-45-70(57-82(76)92)93-69-38-26-37-68(56-69)89-58-90(79-42-25-24-41-78(79)89)84-71(61-31-16-9-17-32-61)53-66(86(4,5)6)54-72(84)62-33-18-10-19-34-62;/h7-57H,1-6H3;
InChIKeyKQZQPFUULLVQKH-UHFFFAOYSA-N
XLogP22.90
TPSA38.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001395.62
LogP ≤ 522.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [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 with MolForge

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Related Compounds

[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-(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-[[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-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-[[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-(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-[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-tert-butyl-5-[10-(4-tert-butyl-2-pyridinyl)-3',6',10'-triphenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-6-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796792
[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[4,12-ditert-butyl-8-(4-tert-butyl-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]benzimidazol-2-ylidene]platinum
CID 168796864
[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
[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

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(C)(C)c1ccnc(N2c3ccccc3C3(c4ccc(-c5ccccc5)cc4N(c4ccccc4)c4cc(-c5ccccc5)ccc43)c3ccc(Oc4cccc(-n5c(=[Pt])n(-c6c(-c7ccccc7)cc(C(C)(C)C)cc6-c6ccccc6)c6ccccc65)c4)cc32)c1.
What is the InChIKey of [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?
The InChIKey is KQZQPFUULLVQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H69N5O.Pt/c1-85(2,3)65-49-50-88-83(55-65)92-77-40-23-22-39-73(77)87(74-46-43-63(59-27-12-7-13-28-59)51-80(74)91(67-35-20-11-21-36-67)81-52-64(44-47-75(81)87)60-29-14-8-15-30-60)76-48-45-70(57-82(76)92)93-69-38-26-37-68(56-69)89-58-90(79-42-25-24-41-78(79)89)84-71(61-31-16-9-17-32-61)53-66(86(4,5)6)54-72(84)62-33-18-10-19-34-62;/h7-57H,1-6H3;.
What are the key properties of [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?
[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 has a molecular weight of 1395.62 g/mol, XLogP of 22.90, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 168796934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).