3-[3-[[6-(1-adamantyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(2,6-diphenylphenyl)-7-phenyl-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide;platinum

C66H54N4O2Pt-2 — CID 164833981

IUPAC3-[3-[[6-(1-adamantyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(2,6-diphenylphenyl)-7-phenyl-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide;platinum
SMILESCC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5coc6c(-c7ccccc7)[n+](-c7c(-c8ccccc8)cccc7-c7ccccc7)[c-]n56)ccc4)ccc3c3cc(C45CC6CC(CC(C6)C4)C5)ccc32)c1.[Pt]
InChIInChI=1S/C66H54N4O2.Pt/c1-65(2,3)50-29-30-67-61(36-50)70-58-28-25-51(66-38-43-31-44(39-66)33-45(32-43)40-66)35-57(58)56-27-26-53(37-59(56)70)72-52-22-13-21-49(34-52)60-41-71-64-62(48-19-11-6-12-20-48)69(42-68(60)64)63-54(46-15-7-4-8-16-46)23-14-24-55(63)47-17-9-5-10-18-47;/h4-30,35-36,41,43-45H,31-33,38-40H2,1-3H3;/q-2;
InChIKeyNMPVEWROIWXWDK-UHFFFAOYSA-N
MW1130.26 g/mol
LogP15.92
Rot. Bonds9

About 3-[3-[[6-(1-adamantyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(2,6-diphenylphenyl)-7-phenyl-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide;platinum

3-[3-[[6-(1-adamantyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(2,6-diphenylphenyl)-7-phenyl-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide;platinum (PubChem CID 164833981) has the molecular formula C66H54N4O2Pt-2 and a molecular weight of 1130.26 g/mol. Its IUPAC name is 3-[3-[[6-(1-adamantyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(2,6-diphenylphenyl)-7-phenyl-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide;platinum.

Molecular Properties

Compound Name3-[3-[[6-(1-adamantyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(2,6-diphenylphenyl)-7-phenyl-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide;platinum
PubChem CID164833981
Molecular FormulaC66H54N4O2Pt-2
Molecular Weight1130.26 g/mol
Exact Mass1129.39
IUPAC Name3-[3-[[6-(1-adamantyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(2,6-diphenylphenyl)-7-phenyl-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide;platinum
SMILESCC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5coc6c(-c7ccccc7)[n+](-c7c(-c8ccccc8)cccc7-c7ccccc7)[c-]n56)ccc4)ccc3c3cc(C45CC6CC(CC(C6)C4)C5)ccc32)c1.[Pt]
InChIInChI=1S/C66H54N4O2.Pt/c1-65(2,3)50-29-30-67-61(36-50)70-58-28-25-51(66-38-43-31-44(39-66)33-45(32-43)40-66)35-57(58)56-27-26-53(37-59(56)70)72-52-22-13-21-49(34-52)60-41-71-64-62(48-19-11-6-12-20-48)69(42-68(60)64)63-54(46-15-7-4-8-16-46)23-14-24-55(63)47-17-9-5-10-18-47;/h4-30,35-36,41,43-45H,31-33,38-40H2,1-3H3;/q-2;
InChIKeyNMPVEWROIWXWDK-UHFFFAOYSA-N
XLogP15.92
TPSA48.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001130.26
LogP ≤ 515.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[3-[[6-(1-adamantyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(2,6-diphenylphenyl)-7-phenyl-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide;platinum with MolForge

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Related Compounds

CID 177109482
CID 177109482
CID 164734067
CID 164734067
2-[3-[3-[4-(1-bicyclo[1.1.1]pentanyl)-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)-1H-carbazol-1-ide;platinum
CID 177119295
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
6-tert-butyl-7-(2,6-diphenylphenyl)-3-[3-[[9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide;platinum
CID 164833869
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-[2-(1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-6-phenylphenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 177303395
[7-[3-[3-[2,6-bis(3-trimethylgermylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-trimethylgermane;platinum
CID 168743754
9-(4-tert-butyl-2-pyridinyl)-6-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 166562634
CID 164734023
CID 164734023
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

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[6-(1-adamantyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(2,6-diphenylphenyl)-7-phenyl-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide;platinum?
The IUPAC name of 3-[3-[[6-(1-adamantyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(2,6-diphenylphenyl)-7-phenyl-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide;platinum (CID 164833981) is 3-[3-[[6-(1-adamantyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(2,6-diphenylphenyl)-7-phenyl-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide;platinum.
What is the SMILES notation for 3-[3-[[6-(1-adamantyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(2,6-diphenylphenyl)-7-phenyl-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide;platinum?
The canonical SMILES for 3-[3-[[6-(1-adamantyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(2,6-diphenylphenyl)-7-phenyl-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5coc6c(-c7ccccc7)[n+](-c7c(-c8ccccc8)cccc7-c7ccccc7)[c-]n56)ccc4)ccc3c3cc(C45CC6CC(CC(C6)C4)C5)ccc32)c1.[Pt].
What is the InChIKey of 3-[3-[[6-(1-adamantyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(2,6-diphenylphenyl)-7-phenyl-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide;platinum?
The InChIKey is NMPVEWROIWXWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H54N4O2.Pt/c1-65(2,3)50-29-30-67-61(36-50)70-58-28-25-51(66-38-43-31-44(39-66)33-45(32-43)40-66)35-57(58)56-27-26-53(37-59(56)70)72-52-22-13-21-49(34-52)60-41-71-64-62(48-19-11-6-12-20-48)69(42-68(60)64)63-54(46-15-7-4-8-16-46)23-14-24-55(63)47-17-9-5-10-18-47;/h4-30,35-36,41,43-45H,31-33,38-40H2,1-3H3;/q-2;.
What are the key properties of 3-[3-[[6-(1-adamantyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(2,6-diphenylphenyl)-7-phenyl-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide;platinum?
3-[3-[[6-(1-adamantyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(2,6-diphenylphenyl)-7-phenyl-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide;platinum has a molecular weight of 1130.26 g/mol, XLogP of 15.92, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[6-(1-adamantyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(2,6-diphenylphenyl)-7-phenyl-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide;platinum is sourced from PubChem (CID 164833981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).