2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[3-[3-(trifluoromethyl)phenyl]phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum

C61H49F3N3OPt- — CID 170676681

IUPAC2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[3-[3-(trifluoromethyl)phenyl]phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2cc(-c3[c-]c(-c4cc(-c5cccc6c7ccccc7n(-c7cccc(-c8cccc(C(F)(F)F)c8)c7)c56)ccn4)ccc3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C61H49F3N3O.Pt/c1-59(2,3)46-31-43(32-47(37-46)60(4,5)6)44-35-54(66-55(36-44)52-22-8-10-26-57(52)68)42-18-11-17-41(29-42)53-34-40(27-28-65-53)49-23-14-24-51-50-21-7-9-25-56(50)67(58(49)51)48-20-13-16-39(33-48)38-15-12-19-45(30-38)61(62,63)64;/h7-28,30-37,68H,1-6H3;/q-1;
InChIKeyKIWFFNSCOFWXFX-UHFFFAOYSA-N
MW1092.15 g/mol
LogP16.69
Rot. Bonds7

About 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[3-[3-(trifluoromethyl)phenyl]phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum

2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[3-[3-(trifluoromethyl)phenyl]phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum (PubChem CID 170676681) has the molecular formula C61H49F3N3OPt- and a molecular weight of 1092.15 g/mol. Its IUPAC name is 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[3-[3-(trifluoromethyl)phenyl]phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum.

Molecular Properties

Compound Name2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[3-[3-(trifluoromethyl)phenyl]phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
PubChem CID170676681
Molecular FormulaC61H49F3N3OPt-
Molecular Weight1092.15 g/mol
Exact Mass1091.35
IUPAC Name2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[3-[3-(trifluoromethyl)phenyl]phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2cc(-c3[c-]c(-c4cc(-c5cccc6c7ccccc7n(-c7cccc(-c8cccc(C(F)(F)F)c8)c7)c56)ccn4)ccc3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C61H49F3N3O.Pt/c1-59(2,3)46-31-43(32-47(37-46)60(4,5)6)44-35-54(66-55(36-44)52-22-8-10-26-57(52)68)42-18-11-17-41(29-42)53-34-40(27-28-65-53)49-23-14-24-51-50-21-7-9-25-56(50)67(58(49)51)48-20-13-16-39(33-48)38-15-12-19-45(30-38)61(62,63)64;/h7-28,30-37,68H,1-6H3;/q-1;
InChIKeyKIWFFNSCOFWXFX-UHFFFAOYSA-N
XLogP16.69
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001092.15
LogP ≤ 516.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[3-[3-(trifluoromethyl)phenyl]phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum with MolForge

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Related Compounds

6-[15-(1,1-Difluoroethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,8-tetraen-3-ol
CID 89136987
2-[4-(3,5-Ditert-butylphenyl)-6-(4-fluoro-3-isoquinolin-3-ylphenyl)-2-pyridinyl]-3,6-difluorophenol
CID 136012898
2-[4-(3,5-Ditert-butylphenyl)-6-(4-fluoro-3-isoquinolin-3-ylphenyl)-2-pyridinyl]phenol
CID 136635372
2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;4-hydroxypent-3-en-2-one;bis(iridium);5-methyl-2-phenylpyridine;1-phenylisoquinoline;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 157253808
2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;4-hydroxypent-3-en-2-one;iridium;iridium(3+);1-methyl-4-phenylbenzene-5-ide;1-phenylisoquinoline;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 157533924
CID 157822037
CID 157822037
CID 157832357
CID 157832357
N,N-dimethyl-1-propan-2-yl-7-(trifluoromethyl)quinolin-1-ium-4-amine;1-propan-2-ylquinolin-1-ium;1-propan-2-ylquinolin-1-ium-4-ol
CID 157844160
CID 158078780
CID 158078780
2-[3-tert-butyl-5-(5-methyl-2-pyridinyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;carbazol-9-ide;chloronickel;nickel;nickel(2+);bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(9-pyridin-2-yl-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl)phenol
CID 158108413
CID 158261028
CID 158261028
CID 158348147
CID 158348147

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[3-[3-(trifluoromethyl)phenyl]phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?
The IUPAC name of 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[3-[3-(trifluoromethyl)phenyl]phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum (CID 170676681) is 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[3-[3-(trifluoromethyl)phenyl]phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum.
What is the SMILES notation for 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[3-[3-(trifluoromethyl)phenyl]phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?
The canonical SMILES for 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[3-[3-(trifluoromethyl)phenyl]phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum is CC(C)(C)c1cc(-c2cc(-c3[c-]c(-c4cc(-c5cccc6c7ccccc7n(-c7cccc(-c8cccc(C(F)(F)F)c8)c7)c56)ccn4)ccc3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.[Pt].
What is the InChIKey of 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[3-[3-(trifluoromethyl)phenyl]phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?
The InChIKey is KIWFFNSCOFWXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H49F3N3O.Pt/c1-59(2,3)46-31-43(32-47(37-46)60(4,5)6)44-35-54(66-55(36-44)52-22-8-10-26-57(52)68)42-18-11-17-41(29-42)53-34-40(27-28-65-53)49-23-14-24-51-50-21-7-9-25-56(50)67(58(49)51)48-20-13-16-39(33-48)38-15-12-19-45(30-38)61(62,63)64;/h7-28,30-37,68H,1-6H3;/q-1;.
What are the key properties of 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[3-[3-(trifluoromethyl)phenyl]phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?
2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[3-[3-(trifluoromethyl)phenyl]phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum has a molecular weight of 1092.15 g/mol, XLogP of 16.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[3-[3-(trifluoromethyl)phenyl]phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 170676681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).