2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-9,9-dimethylfluoren-3-ol;platinum

C58H51N2O2Pt- — CID 170524337

IUPAC2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-9,9-dimethylfluoren-3-ol;platinum
SMILESCc1cc(-c2cccc3c2oc2ccccc23)cc(-c2[c-]c(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4cc5c(cc4O)-c4ccccc4C5(C)C)n3)ccc2)n1.[Pt]
InChIInChI=1S/C58H51N2O2.Pt/c1-34-24-39(42-20-15-21-45-44-19-11-13-23-54(44)62-55(42)45)30-50(59-34)35-16-14-17-36(25-35)51-28-38(37-26-40(56(2,3)4)31-41(27-37)57(5,6)7)29-52(60-51)47-32-49-46(33-53(47)61)43-18-10-12-22-48(43)58(49,8)9;/h10-24,26-33,61H,1-9H3;/q-1;
InChIKeyIOTKUXAWXOEJAV-UHFFFAOYSA-N
MW1003.14 g/mol
LogP15.42
Rot. Bonds5

About 2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-9,9-dimethylfluoren-3-ol;platinum

2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-9,9-dimethylfluoren-3-ol;platinum (PubChem CID 170524337) has the molecular formula C58H51N2O2Pt- and a molecular weight of 1003.14 g/mol. Its IUPAC name is 2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-9,9-dimethylfluoren-3-ol;platinum.

Molecular Properties

Compound Name2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-9,9-dimethylfluoren-3-ol;platinum
PubChem CID170524337
Molecular FormulaC58H51N2O2Pt-
Molecular Weight1003.14 g/mol
Exact Mass1002.36
IUPAC Name2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-9,9-dimethylfluoren-3-ol;platinum
SMILESCc1cc(-c2cccc3c2oc2ccccc23)cc(-c2[c-]c(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4cc5c(cc4O)-c4ccccc4C5(C)C)n3)ccc2)n1.[Pt]
InChIInChI=1S/C58H51N2O2.Pt/c1-34-24-39(42-20-15-21-45-44-19-11-13-23-54(44)62-55(42)45)30-50(59-34)35-16-14-17-36(25-35)51-28-38(37-26-40(56(2,3)4)31-41(27-37)57(5,6)7)29-52(60-51)47-32-49-46(33-53(47)61)43-18-10-12-22-48(43)58(49,8)9;/h10-24,26-33,61H,1-9H3;/q-1;
InChIKeyIOTKUXAWXOEJAV-UHFFFAOYSA-N
XLogP15.42
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001003.14
LogP ≤ 515.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-9,9-dimethylfluoren-3-ol;platinum with MolForge

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Related Compounds

2-[6-[3-(4-dibenzothiophen-4-yl-6-methyl-2-pyridinyl)benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-9,9-dimethylfluoren-3-ol;platinum
CID 170524248
2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-6-methylphenol
CID 170524522
2-[6-[3-[6-methyl-4-[3-(6-phenyldibenzofuran-3-yl)-1-benzofuran-2-yl]-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
CID 170524468
2-[6-[3-[4-(3-dibenzofuran-3-yl-1-phenylindol-2-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum
CID 170524268
2-methyl-6-[6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
CID 170524476
2-[6-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol
CID 170524324
2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-5-fluorophenol
CID 170524543
4-[3-dibenzofuran-4-yl-5-(4-phenylphenyl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584080
4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran
CID 170133663
2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-6-fluorophenol
CID 170524453
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-[2-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171584972
2-[6-[3-[4-(3-dibenzofuran-3-yl-1-benzofuran-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
CID 170524330

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-9,9-dimethylfluoren-3-ol;platinum?
The IUPAC name of 2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-9,9-dimethylfluoren-3-ol;platinum (CID 170524337) is 2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-9,9-dimethylfluoren-3-ol;platinum.
What is the SMILES notation for 2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-9,9-dimethylfluoren-3-ol;platinum?
The canonical SMILES for 2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-9,9-dimethylfluoren-3-ol;platinum is Cc1cc(-c2cccc3c2oc2ccccc23)cc(-c2[c-]c(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4cc5c(cc4O)-c4ccccc4C5(C)C)n3)ccc2)n1.[Pt].
What is the InChIKey of 2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-9,9-dimethylfluoren-3-ol;platinum?
The InChIKey is IOTKUXAWXOEJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H51N2O2.Pt/c1-34-24-39(42-20-15-21-45-44-19-11-13-23-54(44)62-55(42)45)30-50(59-34)35-16-14-17-36(25-35)51-28-38(37-26-40(56(2,3)4)31-41(27-37)57(5,6)7)29-52(60-51)47-32-49-46(33-53(47)61)43-18-10-12-22-48(43)58(49,8)9;/h10-24,26-33,61H,1-9H3;/q-1;.
What are the key properties of 2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-9,9-dimethylfluoren-3-ol;platinum?
2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-9,9-dimethylfluoren-3-ol;platinum has a molecular weight of 1003.14 g/mol, XLogP of 15.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-9,9-dimethylfluoren-3-ol;platinum is sourced from PubChem (CID 170524337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).