2-[[5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C52H47N5OPt-2 — CID 171765517

IUPAC2-[[5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
SMILESCC(C)(C)c1cc(-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)c5ccccc5)ccn4)cnc3)c3ccccc32)cc(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C52H47N5O.Pt/c1-50(2,3)37-26-38(51(4,5)6)28-39(27-37)55-34-56(47-21-15-14-20-46(47)55)40-30-42(33-53-32-40)58-41-22-23-44-43-18-12-13-19-45(43)57(48(44)31-41)49-29-36(24-25-54-49)52(7,8)35-16-10-9-11-17-35;/h9-29,32-33H,1-8H3;/q-2;
InChIKeyJVRVHUDBQZUJGY-UHFFFAOYSA-N
MW953.06 g/mol
LogP11.91
Rot. Bonds7

About 2-[[5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

2-[[5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 171765517) has the molecular formula C52H47N5OPt-2 and a molecular weight of 953.06 g/mol. Its IUPAC name is 2-[[5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name2-[[5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
PubChem CID171765517
Molecular FormulaC52H47N5OPt-2
Molecular Weight953.06 g/mol
Exact Mass952.34
IUPAC Name2-[[5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
SMILESCC(C)(C)c1cc(-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)c5ccccc5)ccn4)cnc3)c3ccccc32)cc(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C52H47N5O.Pt/c1-50(2,3)37-26-38(51(4,5)6)28-39(27-37)55-34-56(47-21-15-14-20-46(47)55)40-30-42(33-53-32-40)58-41-22-23-44-43-18-12-13-19-45(43)57(48(44)31-41)49-29-36(24-25-54-49)52(7,8)35-16-10-9-11-17-35;/h9-29,32-33H,1-8H3;/q-2;
InChIKeyJVRVHUDBQZUJGY-UHFFFAOYSA-N
XLogP11.91
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500953.06
LogP ≤ 511.91
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 2-[[5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum with MolForge

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Launch Full Analysis

Related Compounds

9-(4-tert-butyl-2-pyridinyl)-2-[[5-[3-(3,5-ditert-butylphenyl)-7-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum
CID 171765856
9-(4-tert-butyl-2-pyridinyl)-2-[[5-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum
CID 171765554
2-[3-[3-(3-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 170517399
2-[3-tert-butyl-5-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 162449647
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4,5-ditert-butyl-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-[4-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 159007406
CID 170654838
CID 170654838
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,4,6-tritert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 171427704
2-[[2-[6-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 171765721
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-[[5-[5-tert-butyl-3-[3-(1,1,2-trideuterio-2-methylpropyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum
CID 171765815
9-(4-tert-butyl-2-pyridinyl)-2-[[5-[4,5-dideuterio-3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum
CID 171765275
9-(4-tert-butyl-2-pyridinyl)-2-[[5-[3-[3-(1,1-dideuterio-2-methylpropyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-6-phenyl-1H-carbazol-1-ide;platinum
CID 171765616

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?
The IUPAC name of 2-[[5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 171765517) is 2-[[5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.
What is the SMILES notation for 2-[[5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?
The canonical SMILES for 2-[[5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)c5ccccc5)ccn4)cnc3)c3ccccc32)cc(C(C)(C)C)c1.[Pt].
What is the InChIKey of 2-[[5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?
The InChIKey is JVRVHUDBQZUJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H47N5O.Pt/c1-50(2,3)37-26-38(51(4,5)6)28-39(27-37)55-34-56(47-21-15-14-20-46(47)55)40-30-42(33-53-32-40)58-41-22-23-44-43-18-12-13-19-45(43)57(48(44)31-41)49-29-36(24-25-54-49)52(7,8)35-16-10-9-11-17-35;/h9-29,32-33H,1-8H3;/q-2;.
What are the key properties of 2-[[5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?
2-[[5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 953.06 g/mol, XLogP of 11.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171765517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).