[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

C61H62Ge3N4OPt-2 — CID 168743754

IUPAC[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
SMILESCC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-c7cccc([Ge](C)(C)C)c7)cccc6-c6cccc([Ge](C)(C)C)c6)c6ccccc65)ccc4)ccc3c3cc([Ge](C)(C)C)ccc32)c1.[Pt]
InChIInChI=1S/C61H62Ge3N4O.Pt/c1-61(2,3)44-33-34-65-59(37-44)68-55-32-29-47(64(10,11)12)38-54(55)53-31-30-50(40-58(53)68)69-49-24-17-23-48(39-49)66-41-67(57-28-14-13-27-56(57)66)60-51(42-19-15-21-45(35-42)62(4,5)6)25-18-26-52(60)43-20-16-22-46(36-43)63(7,8)9;/h13-38H,1-12H3;/q-2;
InChIKeyOQFRQLRZYPADQY-UHFFFAOYSA-N
MW1280.10 g/mol
LogP13.86
Rot. Bonds10

About [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

[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 (PubChem CID 168743754) has the molecular formula C61H62Ge3N4OPt-2 and a molecular weight of 1280.10 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID168743754
Molecular FormulaC61H62Ge3N4OPt-2
Molecular Weight1280.10 g/mol
Exact Mass1283.22
IUPAC Name[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
SMILESCC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-c7cccc([Ge](C)(C)C)c7)cccc6-c6cccc([Ge](C)(C)C)c6)c6ccccc65)ccc4)ccc3c3cc([Ge](C)(C)C)ccc32)c1.[Pt]
InChIInChI=1S/C61H62Ge3N4O.Pt/c1-61(2,3)44-33-34-65-59(37-44)68-55-32-29-47(64(10,11)12)38-54(55)53-31-30-50(40-58(53)68)69-49-24-17-23-48(39-49)66-41-67(57-28-14-13-27-56(57)66)60-51(42-19-15-21-45(35-42)62(4,5)6)25-18-26-52(60)43-20-16-22-46(36-43)63(7,8)9;/h13-38H,1-12H3;/q-2;
InChIKeyOQFRQLRZYPADQY-UHFFFAOYSA-N
XLogP13.86
TPSA35.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms70
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001280.10
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-c7cccc([Ge](C)(C)C)c7)cccc6-c6cccc([Ge](C)(C)C)c6)c6ccccc65)ccc4)ccc3c3cc([Ge](C)(C)C)ccc32)c1.[Pt].
What is the InChIKey of [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?
The InChIKey is OQFRQLRZYPADQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H62Ge3N4O.Pt/c1-61(2,3)44-33-34-65-59(37-44)68-55-32-29-47(64(10,11)12)38-54(55)53-31-30-50(40-58(53)68)69-49-24-17-23-48(39-49)66-41-67(57-28-14-13-27-56(57)66)60-51(42-19-15-21-45(35-42)62(4,5)6)25-18-26-52(60)43-20-16-22-46(36-43)63(7,8)9;/h13-38H,1-12H3;/q-2;.
What are the key properties of [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?
[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 has a molecular weight of 1280.10 g/mol, XLogP of 13.86, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 168743754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).