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

C77H56F2N5Pt-3 — CID 162704445

IUPAC9-[4-[2-(4-carbazol-9-ylphenyl)-2-adamantyl]-2-pyridinyl]-2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-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(c3ccc(-n4c5ccccc5c5ccccc54)cc3)C3CC4CC(C3)CC2C4)ccn1.[Pt]
InChIInChI=1S/C77H56F2N5.Pt/c78-77(79,56-21-15-22-61(46-56)81-49-82(72-32-14-13-31-71(72)81)75-62(52-17-3-1-4-18-52)26-16-27-63(75)53-19-5-2-6-20-53)57-35-38-67-66-25-9-12-30-70(66)84(73(67)47-57)74-48-55(39-40-80-74)76(58-42-50-41-51(44-58)45-59(76)43-50)54-33-36-60(37-34-54)83-68-28-10-7-23-64(68)65-24-8-11-29-69(65)83;/h1-40,48-51,58-59H,41-45H2;/q-3;
InChIKeyANMILHRMWFKXQY-UHFFFAOYSA-N
MW1284.40 g/mol
LogP19.50
Rot. Bonds10

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

9-[4-[2-(4-carbazol-9-ylphenyl)-2-adamantyl]-2-pyridinyl]-2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-1H-carbazol-1-ide;platinum (PubChem CID 162704445) has the molecular formula C77H56F2N5Pt-3 and a molecular weight of 1284.40 g/mol. Its IUPAC name is 9-[4-[2-(4-carbazol-9-ylphenyl)-2-adamantyl]-2-pyridinyl]-2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name9-[4-[2-(4-carbazol-9-ylphenyl)-2-adamantyl]-2-pyridinyl]-2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-1H-carbazol-1-ide;platinum
PubChem CID162704445
Molecular FormulaC77H56F2N5Pt-3
Molecular Weight1284.40 g/mol
Exact Mass1283.42
IUPAC Name9-[4-[2-(4-carbazol-9-ylphenyl)-2-adamantyl]-2-pyridinyl]-2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-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(c3ccc(-n4c5ccccc5c5ccccc54)cc3)C3CC4CC(C3)CC2C4)ccn1.[Pt]
InChIInChI=1S/C77H56F2N5.Pt/c78-77(79,56-21-15-22-61(46-56)81-49-82(72-32-14-13-31-71(72)81)75-62(52-17-3-1-4-18-52)26-16-27-63(75)53-19-5-2-6-20-53)57-35-38-67-66-25-9-12-30-70(66)84(73(67)47-57)74-48-55(39-40-80-74)76(58-42-50-41-51(44-58)45-59(76)43-50)54-33-36-60(37-34-54)83-68-28-10-7-23-64(68)65-24-8-11-29-69(65)83;/h1-40,48-51,58-59H,41-45H2;/q-3;
InChIKeyANMILHRMWFKXQY-UHFFFAOYSA-N
XLogP19.50
TPSA29.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001284.40
LogP ≤ 519.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 9-[4-[2-(4-carbazol-9-ylphenyl)-2-adamantyl]-2-pyridinyl]-2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-1H-carbazol-1-ide;platinum?
The IUPAC name of 9-[4-[2-(4-carbazol-9-ylphenyl)-2-adamantyl]-2-pyridinyl]-2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-1H-carbazol-1-ide;platinum (CID 162704445) is 9-[4-[2-(4-carbazol-9-ylphenyl)-2-adamantyl]-2-pyridinyl]-2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-1H-carbazol-1-ide;platinum.
What is the SMILES notation for 9-[4-[2-(4-carbazol-9-ylphenyl)-2-adamantyl]-2-pyridinyl]-2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-1H-carbazol-1-ide;platinum?
The canonical SMILES for 9-[4-[2-(4-carbazol-9-ylphenyl)-2-adamantyl]-2-pyridinyl]-2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-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(c3ccc(-n4c5ccccc5c5ccccc54)cc3)C3CC4CC(C3)CC2C4)ccn1.[Pt].
What is the InChIKey of 9-[4-[2-(4-carbazol-9-ylphenyl)-2-adamantyl]-2-pyridinyl]-2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-1H-carbazol-1-ide;platinum?
The InChIKey is ANMILHRMWFKXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H56F2N5.Pt/c78-77(79,56-21-15-22-61(46-56)81-49-82(72-32-14-13-31-71(72)81)75-62(52-17-3-1-4-18-52)26-16-27-63(75)53-19-5-2-6-20-53)57-35-38-67-66-25-9-12-30-70(66)84(73(67)47-57)74-48-55(39-40-80-74)76(58-42-50-41-51(44-58)45-59(76)43-50)54-33-36-60(37-34-54)83-68-28-10-7-23-64(68)65-24-8-11-29-69(65)83;/h1-40,48-51,58-59H,41-45H2;/q-3;.
What are the key properties of 9-[4-[2-(4-carbazol-9-ylphenyl)-2-adamantyl]-2-pyridinyl]-2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-1H-carbazol-1-ide;platinum?
9-[4-[2-(4-carbazol-9-ylphenyl)-2-adamantyl]-2-pyridinyl]-2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1284.40 g/mol, XLogP of 19.50, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-(4-carbazol-9-ylphenyl)-2-adamantyl]-2-pyridinyl]-2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162704445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).