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

C62H62N3OPt- — CID 176614220

IUPAC2,4-ditert-butyl-6-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2cc(-c3[c-]c(-c4cc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)ccn4)ccc3)nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)c2)cc(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C62H62N3O.Pt/c1-59(2,3)44-31-42(32-45(36-44)60(4,5)6)43-34-54(64-55(35-43)51-37-46(61(7,8)9)38-52(58(51)66)62(10,11)12)41-21-18-20-40(30-41)53-33-39(28-29-63-53)48-25-19-26-50-49-24-16-17-27-56(49)65(57(48)50)47-22-14-13-15-23-47;/h13-29,31-38,66H,1-12H3;/q-1;
InChIKeyOQAZMQHAHOTRHQ-UHFFFAOYSA-N
MW1060.28 g/mol
LogP16.60
Rot. Bonds6

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

2,4-ditert-butyl-6-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum (PubChem CID 176614220) has the molecular formula C62H62N3OPt- and a molecular weight of 1060.28 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
PubChem CID176614220
Molecular FormulaC62H62N3OPt-
Molecular Weight1060.28 g/mol
Exact Mass1059.45
IUPAC Name2,4-ditert-butyl-6-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2cc(-c3[c-]c(-c4cc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)ccn4)ccc3)nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)c2)cc(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C62H62N3O.Pt/c1-59(2,3)44-31-42(32-45(36-44)60(4,5)6)43-34-54(64-55(35-43)51-37-46(61(7,8)9)38-52(58(51)66)62(10,11)12)41-21-18-20-40(30-41)53-33-39(28-29-63-53)48-25-19-26-50-49-24-16-17-27-56(49)65(57(48)50)47-22-14-13-15-23-47;/h13-29,31-38,66H,1-12H3;/q-1;
InChIKeyOQAZMQHAHOTRHQ-UHFFFAOYSA-N
XLogP16.60
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001060.28
LogP ≤ 516.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenylpyrido[3,4-b]indol-8-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 168803422
2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-[4-[2-(trifluoromethyl)phenyl]phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 170676719
2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(2-methyl-9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 168803349
2-[6-[3-[4-[9-[4-(5-tert-butyl-2-pyridinyl)phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum
CID 170676723
2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenyl-2-propan-2-ylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 168803410
2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(4-phenylfuro[3,2-b]indol-5-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 168803320
2,4-ditert-butyl-6-[6-(5-tert-butyl-2-phenylphenyl)-1-(3,5-ditert-butylphenyl)-4-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 177093882
5-methyl-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 176614283
2,4-ditert-butyl-6-[1-(9-phenylcarbazol-1-yl)-4-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 177093879
2,4-ditert-butyl-6-[1-(3,5-ditert-butylphenyl)-6-phenyl-4-[3-phenyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 177093680
3-fluoro-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 176614228
2-[4-(3,5-ditert-butylphenyl)-6-[3-[3-(9-phenylcarbazol-4-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 170542300

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?
The IUPAC name of 2,4-ditert-butyl-6-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum (CID 176614220) is 2,4-ditert-butyl-6-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum.
What is the SMILES notation for 2,4-ditert-butyl-6-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?
The canonical SMILES for 2,4-ditert-butyl-6-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum is CC(C)(C)c1cc(-c2cc(-c3[c-]c(-c4cc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)ccn4)ccc3)nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)c2)cc(C(C)(C)C)c1.[Pt].
What is the InChIKey of 2,4-ditert-butyl-6-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?
The InChIKey is OQAZMQHAHOTRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H62N3O.Pt/c1-59(2,3)44-31-42(32-45(36-44)60(4,5)6)43-34-54(64-55(35-43)51-37-46(61(7,8)9)38-52(58(51)66)62(10,11)12)41-21-18-20-40(30-41)53-33-39(28-29-63-53)48-25-19-26-50-49-24-16-17-27-56(49)65(57(48)50)47-22-14-13-15-23-47;/h13-29,31-38,66H,1-12H3;/q-1;.
What are the key properties of 2,4-ditert-butyl-6-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?
2,4-ditert-butyl-6-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum has a molecular weight of 1060.28 g/mol, XLogP of 16.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 176614220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).