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

C58H51N2OPtS- — CID 170524248

IUPAC2-[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
SMILESCc1cc(-c2cccc3c2sc2ccccc23)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/C58H51N2OS.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;
InChIKeyPBJVPNVXDJWTEO-UHFFFAOYSA-N
MW1019.20 g/mol
LogP15.89
Rot. Bonds5

About 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

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 (PubChem CID 170524248) has the molecular formula C58H51N2OPtS- and a molecular weight of 1019.20 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID170524248
Molecular FormulaC58H51N2OPtS-
Molecular Weight1019.20 g/mol
Exact Mass1018.34
IUPAC Name2-[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
SMILESCc1cc(-c2cccc3c2sc2ccccc23)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/C58H51N2OS.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;
InChIKeyPBJVPNVXDJWTEO-UHFFFAOYSA-N
XLogP15.89
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001019.20
LogP ≤ 515.89
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-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 with MolForge

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Related Compounds

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
2-[6-[3-[4-[3-(9,9-dimethylfluoren-2-yl)-1-phenylindol-2-yl]-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
CID 170524307
2-[6-[3-[4-(5-dibenzothiophen-3-yl-1-methylpyrrol-2-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
CID 170524234
4-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 59758491
4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584152
4-dibenzothiophen-4-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168776821
4-dibenzothiophen-4-yl-2-(9,9-dimethylfluoren-2-yl)-6-(2-naphthalen-1-ylphenyl)pyrimidine
CID 167349053
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
4-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]dibenzothiophene
CID 146578544
4-[3,5-di(dibenzothiophen-4-yl)phenyl]-2,6-diphenylpyridine
CID 59133526
4-(3-dibenzothiophen-4-yl-5-naphthalen-1-ylphenyl)-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
CID 171585376
4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzothiophen-4-ylphenyl)-6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 157448144

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2cccc3c2sc2ccccc23)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-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?
The InChIKey is PBJVPNVXDJWTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H51N2OS.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-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?
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 has a molecular weight of 1019.20 g/mol, XLogP of 15.89, 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-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 is sourced from PubChem (CID 170524248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).