9-[3-carbazol-9-yl-2-[1-[3-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]phenyl]carbazole;platinum

C59H37N5OPt-2 — CID 154594724

IUPAC9-[3-carbazol-9-yl-2-[1-[3-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]phenyl]carbazole;platinum
SMILES[2H]C([2H])([2H])[n+]1[c-]n(-c2[c-]c(Oc3[c-]c(-c4cc5ccccc5cn4)ccc3)ccc2)c2cccc(-c3c(-n4c5ccccc5c5ccccc54)cccc3-n3c4ccccc4c4ccccc43)c21.[Pt]
InChIInChI=1S/C59H37N5O.Pt/c1-61-38-62(42-19-13-21-44(36-42)65-43-20-12-18-40(34-43)50-35-39-16-2-3-17-41(39)37-60-50)57-33-14-26-49(59(57)61)58-55(63-51-27-8-4-22-45(51)46-23-5-9-28-52(46)63)31-15-32-56(58)64-53-29-10-6-24-47(53)48-25-7-11-30-54(48)64;/h2-33,35,37H,1H3;/q-2;/i1D3;
InChIKeySHHPMXBFFYYDTC-NIIDSAIPSA-N
MW1030.08 g/mol
LogP13.72
Rot. Bonds8

About 9-[3-carbazol-9-yl-2-[1-[3-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]phenyl]carbazole;platinum

9-[3-carbazol-9-yl-2-[1-[3-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]phenyl]carbazole;platinum (PubChem CID 154594724) has the molecular formula C59H37N5OPt-2 and a molecular weight of 1030.08 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-2-[1-[3-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]phenyl]carbazole;platinum.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-2-[1-[3-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]phenyl]carbazole;platinum
PubChem CID154594724
Molecular FormulaC59H37N5OPt-2
Molecular Weight1030.08 g/mol
Exact Mass1029.28
IUPAC Name9-[3-carbazol-9-yl-2-[1-[3-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]phenyl]carbazole;platinum
SMILES[2H]C([2H])([2H])[n+]1[c-]n(-c2[c-]c(Oc3[c-]c(-c4cc5ccccc5cn4)ccc3)ccc2)c2cccc(-c3c(-n4c5ccccc5c5ccccc54)cccc3-n3c4ccccc4c4ccccc43)c21.[Pt]
InChIInChI=1S/C59H37N5O.Pt/c1-61-38-62(42-19-13-21-44(36-42)65-43-20-12-18-40(34-43)50-35-39-16-2-3-17-41(39)37-60-50)57-33-14-26-49(59(57)61)58-55(63-51-27-8-4-22-45(51)46-23-5-9-28-52(46)63)31-15-32-56(58)64-53-29-10-6-24-47(53)48-25-7-11-30-54(48)64;/h2-33,35,37H,1H3;/q-2;/i1D3;
InChIKeySHHPMXBFFYYDTC-NIIDSAIPSA-N
XLogP13.72
TPSA40.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001030.08
LogP ≤ 513.72
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 9-[3-carbazol-9-yl-2-[1-[3-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]phenyl]carbazole;platinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-2-[1-[3-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]phenyl]carbazole;platinum?
The IUPAC name of 9-[3-carbazol-9-yl-2-[1-[3-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]phenyl]carbazole;platinum (CID 154594724) is 9-[3-carbazol-9-yl-2-[1-[3-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]phenyl]carbazole;platinum.
What is the SMILES notation for 9-[3-carbazol-9-yl-2-[1-[3-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]phenyl]carbazole;platinum?
The canonical SMILES for 9-[3-carbazol-9-yl-2-[1-[3-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]phenyl]carbazole;platinum is [2H]C([2H])([2H])[n+]1[c-]n(-c2[c-]c(Oc3[c-]c(-c4cc5ccccc5cn4)ccc3)ccc2)c2cccc(-c3c(-n4c5ccccc5c5ccccc54)cccc3-n3c4ccccc4c4ccccc43)c21.[Pt].
What is the InChIKey of 9-[3-carbazol-9-yl-2-[1-[3-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]phenyl]carbazole;platinum?
The InChIKey is SHHPMXBFFYYDTC-NIIDSAIPSA-N. The full InChI is InChI=1S/C59H37N5O.Pt/c1-61-38-62(42-19-13-21-44(36-42)65-43-20-12-18-40(34-43)50-35-39-16-2-3-17-41(39)37-60-50)57-33-14-26-49(59(57)61)58-55(63-51-27-8-4-22-45(51)46-23-5-9-28-52(46)63)31-15-32-56(58)64-53-29-10-6-24-47(53)48-25-7-11-30-54(48)64;/h2-33,35,37H,1H3;/q-2;/i1D3;.
What are the key properties of 9-[3-carbazol-9-yl-2-[1-[3-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]phenyl]carbazole;platinum?
9-[3-carbazol-9-yl-2-[1-[3-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]phenyl]carbazole;platinum has a molecular weight of 1030.08 g/mol, XLogP of 13.72, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-2-[1-[3-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]phenyl]carbazole;platinum is sourced from PubChem (CID 154594724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).