2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-(1-phenylcyclopentyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C60H43F2N4Pt-3 — CID 162704500

IUPAC2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-(1-phenylcyclopentyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
SMILESFC(F)(c1[c-]c(N2[CH-]N(c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc32)ccc1)c1[c-]c2c(cc1)c1ccccc1n2-c1cc(C2(c3ccccc3)CCCC2)ccn1.[Pt]
InChIInChI=1S/C60H43F2N4.Pt/c61-60(62,47-32-33-52-51-26-10-11-29-53(51)66(56(52)39-47)57-40-45(34-37-63-57)59(35-14-15-36-59)44-22-8-3-9-23-44)46-24-16-25-48(38-46)64-41-65(55-31-13-12-30-54(55)64)58-49(42-18-4-1-5-19-42)27-17-28-50(58)43-20-6-2-7-21-43;/h1-13,16-34,37,40-41H,14-15,35-36H2;/q-3;
InChIKeyZCLGNKUZGFGKBG-UHFFFAOYSA-N
MW1053.11 g/mol
LogP15.52
Rot. Bonds9

About 2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-(1-phenylcyclopentyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-(1-phenylcyclopentyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 162704500) has the molecular formula C60H43F2N4Pt-3 and a molecular weight of 1053.11 g/mol. Its IUPAC name is 2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-(1-phenylcyclopentyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-(1-phenylcyclopentyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
PubChem CID162704500
Molecular FormulaC60H43F2N4Pt-3
Molecular Weight1053.11 g/mol
Exact Mass1052.31
IUPAC Name2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-(1-phenylcyclopentyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
SMILESFC(F)(c1[c-]c(N2[CH-]N(c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc32)ccc1)c1[c-]c2c(cc1)c1ccccc1n2-c1cc(C2(c3ccccc3)CCCC2)ccn1.[Pt]
InChIInChI=1S/C60H43F2N4.Pt/c61-60(62,47-32-33-52-51-26-10-11-29-53(51)66(56(52)39-47)57-40-45(34-37-63-57)59(35-14-15-36-59)44-22-8-3-9-23-44)46-24-16-25-48(38-46)64-41-65(55-31-13-12-30-54(55)64)58-49(42-18-4-1-5-19-42)27-17-28-50(58)43-20-6-2-7-21-43;/h1-13,16-34,37,40-41H,14-15,35-36H2;/q-3;
InChIKeyZCLGNKUZGFGKBG-UHFFFAOYSA-N
XLogP15.52
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001053.11
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-(1-phenylcyclopentyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-(1-phenylcyclopentyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?
The IUPAC name of 2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-(1-phenylcyclopentyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 162704500) is 2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-(1-phenylcyclopentyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.
What is the SMILES notation for 2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-(1-phenylcyclopentyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?
The canonical SMILES for 2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-(1-phenylcyclopentyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is FC(F)(c1[c-]c(N2[CH-]N(c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc32)ccc1)c1[c-]c2c(cc1)c1ccccc1n2-c1cc(C2(c3ccccc3)CCCC2)ccn1.[Pt].
What is the InChIKey of 2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-(1-phenylcyclopentyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?
The InChIKey is ZCLGNKUZGFGKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43F2N4.Pt/c61-60(62,47-32-33-52-51-26-10-11-29-53(51)66(56(52)39-47)57-40-45(34-37-63-57)59(35-14-15-36-59)44-22-8-3-9-23-44)46-24-16-25-48(38-46)64-41-65(55-31-13-12-30-54(55)64)58-49(42-18-4-1-5-19-42)27-17-28-50(58)43-20-6-2-7-21-43;/h1-13,16-34,37,40-41H,14-15,35-36H2;/q-3;.
What are the key properties of 2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-(1-phenylcyclopentyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?
2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-(1-phenylcyclopentyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1053.11 g/mol, XLogP of 15.52, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-(1-phenylcyclopentyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162704500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).