[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

C71H53N5OPt — CID 168796977

IUPAC[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
SMILESCC(C)(C)c1ccnc(N2c3ccccc3C3(c4ccccc4N(c4ccccc4)c4ccccc43)c3ccc(Oc4cccc(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)c4)cc32)c1
InChIInChI=1S/C71H53N5O.Pt/c1-70(2,3)51-43-44-72-68(45-51)76-64-38-18-15-35-60(64)71(58-33-13-16-36-62(58)75(52-27-11-6-12-28-52)63-37-17-14-34-59(63)71)61-42-41-55(47-67(61)76)77-54-30-21-29-53(46-54)73-48-74(66-40-20-19-39-65(66)73)69-56(49-23-7-4-8-24-49)31-22-32-57(69)50-25-9-5-10-26-50;/h4-47H,1-3H3;
InChIKeyNSESSHAXPZSMKR-UHFFFAOYSA-N
MW1187.32 g/mol
LogP18.27
Rot. Bonds8

About [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

[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 (PubChem CID 168796977) has the molecular formula C71H53N5OPt and a molecular weight of 1187.32 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID168796977
Molecular FormulaC71H53N5OPt
Molecular Weight1187.32 g/mol
Exact Mass1186.39
IUPAC Name[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
SMILESCC(C)(C)c1ccnc(N2c3ccccc3C3(c4ccccc4N(c4ccccc4)c4ccccc43)c3ccc(Oc4cccc(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)c4)cc32)c1
InChIInChI=1S/C71H53N5O.Pt/c1-70(2,3)51-43-44-72-68(45-51)76-64-38-18-15-35-60(64)71(58-33-13-16-36-62(58)75(52-27-11-6-12-28-52)63-37-17-14-34-59(63)71)61-42-41-55(47-67(61)76)77-54-30-21-29-53(46-54)73-48-74(66-40-20-19-39-65(66)73)69-56(49-23-7-4-8-24-49)31-22-32-57(69)50-25-9-5-10-26-50;/h4-47H,1-3H3;
InChIKeyNSESSHAXPZSMKR-UHFFFAOYSA-N
XLogP18.27
TPSA38.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001187.32
LogP ≤ 518.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [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 with MolForge

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Related Compounds

[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-[[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-[[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-(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-[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-(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-[[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-(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]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-(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

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(C)(C)c1ccnc(N2c3ccccc3C3(c4ccccc4N(c4ccccc4)c4ccccc43)c3ccc(Oc4cccc(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)c4)cc32)c1.
What is the InChIKey of [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?
The InChIKey is NSESSHAXPZSMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H53N5O.Pt/c1-70(2,3)51-43-44-72-68(45-51)76-64-38-18-15-35-60(64)71(58-33-13-16-36-62(58)75(52-27-11-6-12-28-52)63-37-17-14-34-59(63)71)61-42-41-55(47-67(61)76)77-54-30-21-29-53(46-54)73-48-74(66-40-20-19-39-65(66)73)69-56(49-23-7-4-8-24-49)31-22-32-57(69)50-25-9-5-10-26-50;/h4-47H,1-3H3;.
What are the key properties of [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?
[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 has a molecular weight of 1187.32 g/mol, XLogP of 18.27, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 168796977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).