2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3-carbazol-9-yl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

C60H38N5OPt-3 — CID 153490483

IUPAC2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3-carbazol-9-yl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
SMILES[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4-n4c6ccccc6c6ccccc64)c4ccccc4n5-c4ccccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt]
InChIInChI=1S/C60H38N5O.Pt/c1-3-19-41(20-4-1)45-28-18-29-46(42-21-5-2-6-22-42)60(45)63-40-62(54-33-13-14-34-55(54)63)43-23-17-24-44(37-43)66-58-39-56-50(49-27-9-12-32-53(49)65(56)59-35-15-16-36-61-59)38-57(58)64-51-30-10-7-25-47(51)48-26-8-11-31-52(48)64;/h1-36,38,40H;/q-3;/i1D,2D,3D,4D,5D,6D,19D,20D,21D,22D;
InChIKeyUXFZWBDBVBNKSD-CFLKNZIUSA-N
MW1050.14 g/mol
LogP15.41
Rot. Bonds8

About 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3-carbazol-9-yl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3-carbazol-9-yl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (PubChem CID 153490483) has the molecular formula C60H38N5OPt-3 and a molecular weight of 1050.14 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3-carbazol-9-yl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3-carbazol-9-yl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
PubChem CID153490483
Molecular FormulaC60H38N5OPt-3
Molecular Weight1050.14 g/mol
Exact Mass1049.34
IUPAC Name2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3-carbazol-9-yl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
SMILES[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4-n4c6ccccc6c6ccccc64)c4ccccc4n5-c4ccccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt]
InChIInChI=1S/C60H38N5O.Pt/c1-3-19-41(20-4-1)45-28-18-29-46(42-21-5-2-6-22-42)60(45)63-40-62(54-33-13-14-34-55(54)63)43-23-17-24-44(37-43)66-58-39-56-50(49-27-9-12-32-53(49)65(56)59-35-15-16-36-61-59)38-57(58)64-51-30-10-7-25-47(51)48-26-8-11-31-52(48)64;/h1-36,38,40H;/q-3;/i1D,2D,3D,4D,5D,6D,19D,20D,21D,22D;
InChIKeyUXFZWBDBVBNKSD-CFLKNZIUSA-N
XLogP15.41
TPSA38.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001050.14
LogP ≤ 515.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3-carbazol-9-yl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?
The IUPAC name of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3-carbazol-9-yl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (CID 153490483) is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3-carbazol-9-yl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.
What is the SMILES notation for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3-carbazol-9-yl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?
The canonical SMILES for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3-carbazol-9-yl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4-n4c6ccccc6c6ccccc64)c4ccccc4n5-c4ccccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt].
What is the InChIKey of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3-carbazol-9-yl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?
The InChIKey is UXFZWBDBVBNKSD-CFLKNZIUSA-N. The full InChI is InChI=1S/C60H38N5O.Pt/c1-3-19-41(20-4-1)45-28-18-29-46(42-21-5-2-6-22-42)60(45)63-40-62(54-33-13-14-34-55(54)63)43-23-17-24-44(37-43)66-58-39-56-50(49-27-9-12-32-53(49)65(56)59-35-15-16-36-61-59)38-57(58)64-51-30-10-7-25-47(51)48-26-8-11-31-52(48)64;/h1-36,38,40H;/q-3;/i1D,2D,3D,4D,5D,6D,19D,20D,21D,22D;.
What are the key properties of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3-carbazol-9-yl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3-carbazol-9-yl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum has a molecular weight of 1050.14 g/mol, XLogP of 15.41, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3-carbazol-9-yl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 153490483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).