2-[3-[3-[2,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

C174H180N8O2Pt2-4 — CID 159880504

IUPAC2-[3-[3-[2,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
SMILESCC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(-c3cccc(-c4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)c4)c3-[n+]3[c-]n(-c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)ccc4)c4ccccc43)c2)cc(C(C)(C)C)c1.CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-c7ccc8c(c7)C(C)(C)CC8(C)C)cccc6-c6ccc7c(c6)C(C)(C)CC7(C)C)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt].[Pt]
InChIInChI=1S/C108H118N4O.C66H62N4O.2Pt/c1-100(2,3)78-44-45-109-98(64-78)112-94-39-29-28-36-92(94)93-43-42-89(66-97(93)112)113-88-35-32-34-87(65-88)110-67-111(96-41-31-30-40-95(96)110)99-90(76-48-68(72-52-79(101(4,5)6)60-80(53-72)102(7,8)9)46-69(49-76)73-54-81(103(10,11)12)61-82(55-73)104(13,14)15)37-33-38-91(99)77-50-70(74-56-83(105(16,17)18)62-84(57-74)106(19,20)21)47-71(51-77)75-58-85(107(22,23)24)63-86(59-75)108(25,26)27;1-62(2,3)44-32-33-67-60(36-44)70-56-23-13-12-20-50(56)51-29-28-47(38-59(51)70)71-46-19-16-18-45(37-46)68-41-69(58-25-15-14-24-57(58)68)61-48(42-26-30-52-54(34-42)65(8,9)39-63(52,4)5)21-17-22-49(61)43-27-31-53-55(35-43)66(10,11)40-64(53,6)7;;/h28-64H,1-27H3;12-36H,39-40H2,1-11H3;;/q2*-2;;
InChIKeyRUMHWNWVCLJRIU-UHFFFAOYSA-N
MW2805.56 g/mol
LogP45.41
Rot. Bonds18

About 2-[3-[3-[2,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

2-[3-[3-[2,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 159880504) has the molecular formula C174H180N8O2Pt2-4 and a molecular weight of 2805.56 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name2-[3-[3-[2,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
PubChem CID159880504
Molecular FormulaC174H180N8O2Pt2-4
Molecular Weight2805.56 g/mol
Exact Mass2803.35
IUPAC Name2-[3-[3-[2,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
SMILESCC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(-c3cccc(-c4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)c4)c3-[n+]3[c-]n(-c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)ccc4)c4ccccc43)c2)cc(C(C)(C)C)c1.CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-c7ccc8c(c7)C(C)(C)CC8(C)C)cccc6-c6ccc7c(c6)C(C)(C)CC7(C)C)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt].[Pt]
InChIInChI=1S/C108H118N4O.C66H62N4O.2Pt/c1-100(2,3)78-44-45-109-98(64-78)112-94-39-29-28-36-92(94)93-43-42-89(66-97(93)112)113-88-35-32-34-87(65-88)110-67-111(96-41-31-30-40-95(96)110)99-90(76-48-68(72-52-79(101(4,5)6)60-80(53-72)102(7,8)9)46-69(49-76)73-54-81(103(10,11)12)61-82(55-73)104(13,14)15)37-33-38-91(99)77-50-70(74-56-83(105(16,17)18)62-84(57-74)106(19,20)21)47-71(51-77)75-58-85(107(22,23)24)63-86(59-75)108(25,26)27;1-62(2,3)44-32-33-67-60(36-44)70-56-23-13-12-20-50(56)51-29-28-47(38-59(51)70)71-46-19-16-18-45(37-46)68-41-69(58-25-15-14-24-57(58)68)61-48(42-26-30-52-54(34-42)65(8,9)39-63(52,4)5)21-17-22-49(61)43-27-31-53-55(35-43)66(10,11)40-64(53,6)7;;/h28-64H,1-27H3;12-36H,39-40H2,1-11H3;;/q2*-2;;
InChIKeyRUMHWNWVCLJRIU-UHFFFAOYSA-N
XLogP45.41
TPSA71.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms186
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002805.56
LogP ≤ 545.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-[3-[3-[2,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum with MolForge

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Related Compounds

2-[3-[3-[2,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(4-phenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 158832387
2-[3-[3-[2,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 154594799
2-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 154594723
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-ditert-butyl-2,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 170518724
2-[3-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 154594888
2-[3-[3-[2,6-bis(3-tert-butylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 171426542
2-[3-[3-[2,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
CID 154594877
2-[3-[3-[2,6-bis(6,6,9,13,13-pentamethyl-3-tricyclo[7.4.1.05,14]tetradeca-1(14),2,4-trienyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 177102446
2-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-6-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 171426947
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-carbazol-1-ide;platinum
CID 165161470
CID 168811549
CID 168811549
CID 177102591
CID 177102591

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[2,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?
The IUPAC name of 2-[3-[3-[2,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 159880504) is 2-[3-[3-[2,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.
What is the SMILES notation for 2-[3-[3-[2,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?
The canonical SMILES for 2-[3-[3-[2,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(-c3cccc(-c4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)c4)c3-[n+]3[c-]n(-c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)ccc4)c4ccccc43)c2)cc(C(C)(C)C)c1.CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-c7ccc8c(c7)C(C)(C)CC8(C)C)cccc6-c6ccc7c(c6)C(C)(C)CC7(C)C)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt].[Pt].
What is the InChIKey of 2-[3-[3-[2,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?
The InChIKey is RUMHWNWVCLJRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H118N4O.C66H62N4O.2Pt/c1-100(2,3)78-44-45-109-98(64-78)112-94-39-29-28-36-92(94)93-43-42-89(66-97(93)112)113-88-35-32-34-87(65-88)110-67-111(96-41-31-30-40-95(96)110)99-90(76-48-68(72-52-79(101(4,5)6)60-80(53-72)102(7,8)9)46-69(49-76)73-54-81(103(10,11)12)61-82(55-73)104(13,14)15)37-33-38-91(99)77-50-70(74-56-83(105(16,17)18)62-84(57-74)106(19,20)21)47-71(51-77)75-58-85(107(22,23)24)63-86(59-75)108(25,26)27;1-62(2,3)44-32-33-67-60(36-44)70-56-23-13-12-20-50(56)51-29-28-47(38-59(51)70)71-46-19-16-18-45(37-46)68-41-69(58-25-15-14-24-57(58)68)61-48(42-26-30-52-54(34-42)65(8,9)39-63(52,4)5)21-17-22-49(61)43-27-31-53-55(35-43)66(10,11)40-64(53,6)7;;/h28-64H,1-27H3;12-36H,39-40H2,1-11H3;;/q2*-2;;.
What are the key properties of 2-[3-[3-[2,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?
2-[3-[3-[2,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 2805.56 g/mol, XLogP of 45.41, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[2,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[2,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 159880504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).