1-[4-[3,6-bis(2-carbazol-9-ylethyl)carbazol-9-yl]phenyl]-6,6-dimethylheptane-3,5-dione;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum

C66H55F2N4O2Pt- — CID 59449572

IUPAC1-[4-[3,6-bis(2-carbazol-9-ylethyl)carbazol-9-yl]phenyl]-6,6-dimethylheptane-3,5-dione;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum
SMILESCC(C)(C)C(=O)CC(=O)CCc1ccc(-n2c3ccc(CCn4c5ccccc5c5ccccc54)cc3c3cc(CCn4c5ccccc5c5ccccc54)ccc32)cc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Pt]
InChIInChI=1S/C55H49N3O2.C11H6F2N.Pt/c1-55(2,3)54(60)36-41(59)27-22-37-20-25-40(26-21-37)58-52-28-23-38(30-32-56-48-16-8-4-12-42(48)43-13-5-9-17-49(43)56)34-46(52)47-35-39(24-29-53(47)58)31-33-57-50-18-10-6-14-44(50)45-15-7-11-19-51(45)57;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;/h4-21,23-26,28-29,34-35H,22,27,30-33,36H2,1-3H3;1-4,6-7H;/q;-1;
InChIKeyJUCABGDZWYHLPG-UHFFFAOYSA-N
MW1169.27 g/mol
LogP15.82
Rot. Bonds13

About 1-[4-[3,6-bis(2-carbazol-9-ylethyl)carbazol-9-yl]phenyl]-6,6-dimethylheptane-3,5-dione;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum

1-[4-[3,6-bis(2-carbazol-9-ylethyl)carbazol-9-yl]phenyl]-6,6-dimethylheptane-3,5-dione;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum (PubChem CID 59449572) has the molecular formula C66H55F2N4O2Pt- and a molecular weight of 1169.27 g/mol. Its IUPAC name is 1-[4-[3,6-bis(2-carbazol-9-ylethyl)carbazol-9-yl]phenyl]-6,6-dimethylheptane-3,5-dione;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum.

Molecular Properties

Compound Name1-[4-[3,6-bis(2-carbazol-9-ylethyl)carbazol-9-yl]phenyl]-6,6-dimethylheptane-3,5-dione;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum
PubChem CID59449572
Molecular FormulaC66H55F2N4O2Pt-
Molecular Weight1169.27 g/mol
Exact Mass1168.39
IUPAC Name1-[4-[3,6-bis(2-carbazol-9-ylethyl)carbazol-9-yl]phenyl]-6,6-dimethylheptane-3,5-dione;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum
SMILESCC(C)(C)C(=O)CC(=O)CCc1ccc(-n2c3ccc(CCn4c5ccccc5c5ccccc54)cc3c3cc(CCn4c5ccccc5c5ccccc54)ccc32)cc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Pt]
InChIInChI=1S/C55H49N3O2.C11H6F2N.Pt/c1-55(2,3)54(60)36-41(59)27-22-37-20-25-40(26-21-37)58-52-28-23-38(30-32-56-48-16-8-4-12-42(48)43-13-5-9-17-49(43)56)34-46(52)47-35-39(24-29-53(47)58)31-33-57-50-18-10-6-14-44(50)45-15-7-11-19-51(45)57;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;/h4-21,23-26,28-29,34-35H,22,27,30-33,36H2,1-3H3;1-4,6-7H;/q;-1;
InChIKeyJUCABGDZWYHLPG-UHFFFAOYSA-N
XLogP15.82
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001169.27
LogP ≤ 515.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1-[4-[3,6-bis(2-carbazol-9-ylethyl)carbazol-9-yl]phenyl]-6,6-dimethylheptane-3,5-dione;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum with MolForge

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Related Compounds

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9-(4-Fluorophenyl)-3-[9-(4-fluorophenyl)-6-[9-(4-fluorophenyl)-6-(5-methyl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]-6-(4-methyl-2-pyridinyl)carbazole
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9-(3-Pyridin-2-ylphenyl)-3,6-bis[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole
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CID 139313529
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3,5-Bis[3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enylidene]cyclohexan-1-one
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[4-[3,6-Bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone
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1-[3,5-Bis[7-(3,6-ditert-butylcarbazol-9-yl)heptanoyl]-2,4,6-trifluorophenyl]-7-(3,6-ditert-butylcarbazol-9-yl)heptan-1-one
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1-[3-[7-[butan-2-yl-[(3Z)-hexa-1,3-dien-2-yl]amino]heptanoyl]-5-[7-(3,6-ditert-butylcarbazol-9-yl)heptanoyl]-2,4,6-trifluorophenyl]-7-(3,6-ditert-butylcarbazol-9-yl)heptan-1-one
CID 146636684

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3,6-bis(2-carbazol-9-ylethyl)carbazol-9-yl]phenyl]-6,6-dimethylheptane-3,5-dione;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum?
The IUPAC name of 1-[4-[3,6-bis(2-carbazol-9-ylethyl)carbazol-9-yl]phenyl]-6,6-dimethylheptane-3,5-dione;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum (CID 59449572) is 1-[4-[3,6-bis(2-carbazol-9-ylethyl)carbazol-9-yl]phenyl]-6,6-dimethylheptane-3,5-dione;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum.
What is the SMILES notation for 1-[4-[3,6-bis(2-carbazol-9-ylethyl)carbazol-9-yl]phenyl]-6,6-dimethylheptane-3,5-dione;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum?
The canonical SMILES for 1-[4-[3,6-bis(2-carbazol-9-ylethyl)carbazol-9-yl]phenyl]-6,6-dimethylheptane-3,5-dione;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum is CC(C)(C)C(=O)CC(=O)CCc1ccc(-n2c3ccc(CCn4c5ccccc5c5ccccc54)cc3c3cc(CCn4c5ccccc5c5ccccc54)ccc32)cc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Pt].
What is the InChIKey of 1-[4-[3,6-bis(2-carbazol-9-ylethyl)carbazol-9-yl]phenyl]-6,6-dimethylheptane-3,5-dione;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum?
The InChIKey is JUCABGDZWYHLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H49N3O2.C11H6F2N.Pt/c1-55(2,3)54(60)36-41(59)27-22-37-20-25-40(26-21-37)58-52-28-23-38(30-32-56-48-16-8-4-12-42(48)43-13-5-9-17-49(43)56)34-46(52)47-35-39(24-29-53(47)58)31-33-57-50-18-10-6-14-44(50)45-15-7-11-19-51(45)57;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;/h4-21,23-26,28-29,34-35H,22,27,30-33,36H2,1-3H3;1-4,6-7H;/q;-1;.
What are the key properties of 1-[4-[3,6-bis(2-carbazol-9-ylethyl)carbazol-9-yl]phenyl]-6,6-dimethylheptane-3,5-dione;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum?
1-[4-[3,6-bis(2-carbazol-9-ylethyl)carbazol-9-yl]phenyl]-6,6-dimethylheptane-3,5-dione;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum has a molecular weight of 1169.27 g/mol, XLogP of 15.82, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3,6-bis(2-carbazol-9-ylethyl)carbazol-9-yl]phenyl]-6,6-dimethylheptane-3,5-dione;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum is sourced from PubChem (CID 59449572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).