2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

C55H33F2N5Pt — CID 176643460

IUPAC2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
SMILESFC(F)(c1ccccc1)c1cc2c(cc1-c1ccccc1)c1ccc(-c3cccc4c3nc(-c3cccc5c3[n-]c3ccccc35)n4-c3ccccc3)[c-]c1n2-c1ccccn1.[Pt+2]
InChIInChI=1S/C55H33F2N5.Pt/c56-55(57,37-18-6-2-7-19-37)46-34-50-45(33-44(46)35-16-4-1-5-17-35)41-30-29-36(32-49(41)62(50)51-28-12-13-31-58-51)39-23-15-27-48-53(39)60-54(61(48)38-20-8-3-9-21-38)43-25-14-24-42-40-22-10-11-26-47(40)59-52(42)43;/h1-31,33-34H;/q-2;+2
InChIKeyZFKMBLYCCSOIRN-UHFFFAOYSA-N
MW996.98 g/mol
LogP13.72
Rot. Bonds7

About 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 176643460) has the molecular formula C55H33F2N5Pt and a molecular weight of 996.98 g/mol. Its IUPAC name is 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

Compound Name2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
PubChem CID176643460
Molecular FormulaC55H33F2N5Pt
Molecular Weight996.98 g/mol
Exact Mass996.24
IUPAC Name2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
SMILESFC(F)(c1ccccc1)c1cc2c(cc1-c1ccccc1)c1ccc(-c3cccc4c3nc(-c3cccc5c3[n-]c3ccccc35)n4-c3ccccc3)[c-]c1n2-c1ccccn1.[Pt+2]
InChIInChI=1S/C55H33F2N5.Pt/c56-55(57,37-18-6-2-7-19-37)46-34-50-45(33-44(46)35-16-4-1-5-17-35)41-30-29-36(32-49(41)62(50)51-28-12-13-31-58-51)39-23-15-27-48-53(39)60-54(61(48)38-20-8-3-9-21-38)43-25-14-24-42-40-22-10-11-26-47(40)59-52(42)43;/h1-31,33-34H;/q-2;+2
InChIKeyZFKMBLYCCSOIRN-UHFFFAOYSA-N
XLogP13.72
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500996.98
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?
The IUPAC name of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (CID 176643460) is 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).
What is the SMILES notation for 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?
The canonical SMILES for 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is FC(F)(c1ccccc1)c1cc2c(cc1-c1ccccc1)c1ccc(-c3cccc4c3nc(-c3cccc5c3[n-]c3ccccc35)n4-c3ccccc3)[c-]c1n2-c1ccccn1.[Pt+2].
What is the InChIKey of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?
The InChIKey is ZFKMBLYCCSOIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33F2N5.Pt/c56-55(57,37-18-6-2-7-19-37)46-34-50-45(33-44(46)35-16-4-1-5-17-35)41-30-29-36(32-49(41)62(50)51-28-12-13-31-58-51)39-23-15-27-48-53(39)60-54(61(48)38-20-8-3-9-21-38)43-25-14-24-42-40-22-10-11-26-47(40)59-52(42)43;/h1-31,33-34H;/q-2;+2.
What are the key properties of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?
2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 996.98 g/mol, XLogP of 13.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 176643460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).