3-[3-[3-[3-[3-[4-[3-[3-[3-[3-[3-(dimethylamino)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-N,N-dimethylaniline;bis(platinum(4+))

C74H56N10O2Pt2 — CID 166007150

IUPAC3-[3-[3-[3-[3-[4-[3-[3-[3-[3-[3-(dimethylamino)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-N,N-dimethylaniline;bis(platinum(4+))
SMILESCN(C)c1cccc(N2[CH-]N(c3[c-]c(Oc4[c-]c(N5[CH-]N(c6ccc(N7[CH-]N(c8[c-]c(Oc9[c-]c(N%10[CH-]N(c%11cccc(N(C)C)c%11)c%11ccccc%11%10)ccc9)ccc8)c8ccccc87)cc6)c6ccccc65)ccc4)ccc3)c3ccccc32)c1.[Pt+4].[Pt+4]
InChIInChI=1S/C74H56N10O2.2Pt/c1-75(2)55-19-13-21-57(43-55)79-51-83(73-37-11-9-35-71(73)79)61-25-17-29-65(47-61)85-63-27-15-23-59(45-63)81-49-77(67-31-5-7-33-69(67)81)53-39-41-54(42-40-53)78-50-82(70-34-8-6-32-68(70)78)60-24-16-28-64(46-60)86-66-30-18-26-62(48-66)84-52-80(72-36-10-12-38-74(72)84)58-22-14-20-56(44-58)76(3)4;;/h5-44,49-52H,1-4H3;;/q-8;2*+4
InChIKeyWLBVNQZBSZCANW-UHFFFAOYSA-N
MW1507.49 g/mol
LogP18.24
Rot. Bonds14

About 3-[3-[3-[3-[3-[4-[3-[3-[3-[3-[3-(dimethylamino)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-N,N-dimethylaniline;bis(platinum(4+))

3-[3-[3-[3-[3-[4-[3-[3-[3-[3-[3-(dimethylamino)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-N,N-dimethylaniline;bis(platinum(4+)) (PubChem CID 166007150) has the molecular formula C74H56N10O2Pt2 and a molecular weight of 1507.49 g/mol. Its IUPAC name is 3-[3-[3-[3-[3-[4-[3-[3-[3-[3-[3-(dimethylamino)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-N,N-dimethylaniline;bis(platinum(4+)).

Molecular Properties

Compound Name3-[3-[3-[3-[3-[4-[3-[3-[3-[3-[3-(dimethylamino)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-N,N-dimethylaniline;bis(platinum(4+))
PubChem CID166007150
Molecular FormulaC74H56N10O2Pt2
Molecular Weight1507.49 g/mol
Exact Mass1506.39
IUPAC Name3-[3-[3-[3-[3-[4-[3-[3-[3-[3-[3-(dimethylamino)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-N,N-dimethylaniline;bis(platinum(4+))
SMILESCN(C)c1cccc(N2[CH-]N(c3[c-]c(Oc4[c-]c(N5[CH-]N(c6ccc(N7[CH-]N(c8[c-]c(Oc9[c-]c(N%10[CH-]N(c%11cccc(N(C)C)c%11)c%11ccccc%11%10)ccc9)ccc8)c8ccccc87)cc6)c6ccccc65)ccc4)ccc3)c3ccccc32)c1.[Pt+4].[Pt+4]
InChIInChI=1S/C74H56N10O2.2Pt/c1-75(2)55-19-13-21-57(43-55)79-51-83(73-37-11-9-35-71(73)79)61-25-17-29-65(47-61)85-63-27-15-23-59(45-63)81-49-77(67-31-5-7-33-69(67)81)53-39-41-54(42-40-53)78-50-82(70-34-8-6-32-68(70)78)60-24-16-28-64(46-60)86-66-30-18-26-62(48-66)84-52-80(72-36-10-12-38-74(72)84)58-22-14-20-56(44-58)76(3)4;;/h5-44,49-52H,1-4H3;;/q-8;2*+4
InChIKeyWLBVNQZBSZCANW-UHFFFAOYSA-N
XLogP18.24
TPSA50.86 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms88
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001507.49
LogP ≤ 518.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3-[3-[3-[3-[3-[4-[3-[3-[3-[3-[3-(dimethylamino)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-N,N-dimethylaniline;bis(platinum(4+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[3-[3-[4-[3-[3-[3-[3-[3-(dimethylamino)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-N,N-dimethylaniline;bis(platinum(4+))?
The IUPAC name of 3-[3-[3-[3-[3-[4-[3-[3-[3-[3-[3-(dimethylamino)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-N,N-dimethylaniline;bis(platinum(4+)) (CID 166007150) is 3-[3-[3-[3-[3-[4-[3-[3-[3-[3-[3-(dimethylamino)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-N,N-dimethylaniline;bis(platinum(4+)).
What is the SMILES notation for 3-[3-[3-[3-[3-[4-[3-[3-[3-[3-[3-(dimethylamino)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-N,N-dimethylaniline;bis(platinum(4+))?
The canonical SMILES for 3-[3-[3-[3-[3-[4-[3-[3-[3-[3-[3-(dimethylamino)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-N,N-dimethylaniline;bis(platinum(4+)) is CN(C)c1cccc(N2[CH-]N(c3[c-]c(Oc4[c-]c(N5[CH-]N(c6ccc(N7[CH-]N(c8[c-]c(Oc9[c-]c(N%10[CH-]N(c%11cccc(N(C)C)c%11)c%11ccccc%11%10)ccc9)ccc8)c8ccccc87)cc6)c6ccccc65)ccc4)ccc3)c3ccccc32)c1.[Pt+4].[Pt+4].
What is the InChIKey of 3-[3-[3-[3-[3-[4-[3-[3-[3-[3-[3-(dimethylamino)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-N,N-dimethylaniline;bis(platinum(4+))?
The InChIKey is WLBVNQZBSZCANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H56N10O2.2Pt/c1-75(2)55-19-13-21-57(43-55)79-51-83(73-37-11-9-35-71(73)79)61-25-17-29-65(47-61)85-63-27-15-23-59(45-63)81-49-77(67-31-5-7-33-69(67)81)53-39-41-54(42-40-53)78-50-82(70-34-8-6-32-68(70)78)60-24-16-28-64(46-60)86-66-30-18-26-62(48-66)84-52-80(72-36-10-12-38-74(72)84)58-22-14-20-56(44-58)76(3)4;;/h5-44,49-52H,1-4H3;;/q-8;2*+4.
What are the key properties of 3-[3-[3-[3-[3-[4-[3-[3-[3-[3-[3-(dimethylamino)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-N,N-dimethylaniline;bis(platinum(4+))?
3-[3-[3-[3-[3-[4-[3-[3-[3-[3-[3-(dimethylamino)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-N,N-dimethylaniline;bis(platinum(4+)) has a molecular weight of 1507.49 g/mol, XLogP of 18.24, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[3-[3-[4-[3-[3-[3-[3-[3-(dimethylamino)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-N,N-dimethylaniline;bis(platinum(4+)) is sourced from PubChem (CID 166007150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).