9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum

C69H71N4OPt-3 — CID 162449705

IUPAC9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum
SMILESCC(C)(C)C1=C(C(C)(C)C)N(c2cc(-c3ccccc3)cc(C(C)(C)C)c2)[CH-]N1c1[c-]c(Oc2[c-]c3c(cc2)c2cc(-c4ccccc4)ccc2n3-c2cc(C(C)(C)C)ccn2)cc(C(C)(C)c2ccccc2)c1.[Pt]
InChIInChI=1S/C69H71N4O.Pt/c1-65(2,3)51-34-35-70-62(42-51)73-60-33-30-48(46-24-18-15-19-25-46)38-59(60)58-32-31-56(44-61(58)73)74-57-41-53(69(13,14)50-28-22-17-23-29-50)40-55(43-57)72-45-71(63(67(7,8)9)64(72)68(10,11)12)54-37-49(47-26-20-16-21-27-47)36-52(39-54)66(4,5)6;/h15-42,45H,1-14H3;/q-3;
InChIKeyLHUHEAMZMFAFDN-UHFFFAOYSA-N
MW1167.43 g/mol
LogP18.57
Rot. Bonds9

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum (PubChem CID 162449705) has the molecular formula C69H71N4OPt-3 and a molecular weight of 1167.43 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum
PubChem CID162449705
Molecular FormulaC69H71N4OPt-3
Molecular Weight1167.43 g/mol
Exact Mass1166.53
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum
SMILESCC(C)(C)C1=C(C(C)(C)C)N(c2cc(-c3ccccc3)cc(C(C)(C)C)c2)[CH-]N1c1[c-]c(Oc2[c-]c3c(cc2)c2cc(-c4ccccc4)ccc2n3-c2cc(C(C)(C)C)ccn2)cc(C(C)(C)c2ccccc2)c1.[Pt]
InChIInChI=1S/C69H71N4O.Pt/c1-65(2,3)51-34-35-70-62(42-51)73-60-33-30-48(46-24-18-15-19-25-46)38-59(60)58-32-31-56(44-61(58)73)74-57-41-53(69(13,14)50-28-22-17-23-29-50)40-55(43-57)72-45-71(63(67(7,8)9)64(72)68(10,11)12)54-37-49(47-26-20-16-21-27-47)36-52(39-54)66(4,5)6;/h15-42,45H,1-14H3;/q-3;
InChIKeyLHUHEAMZMFAFDN-UHFFFAOYSA-N
XLogP18.57
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms75
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001167.43
LogP ≤ 518.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum (CID 162449705) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum is CC(C)(C)C1=C(C(C)(C)C)N(c2cc(-c3ccccc3)cc(C(C)(C)C)c2)[CH-]N1c1[c-]c(Oc2[c-]c3c(cc2)c2cc(-c4ccccc4)ccc2n3-c2cc(C(C)(C)C)ccn2)cc(C(C)(C)c2ccccc2)c1.[Pt].
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum?
The InChIKey is LHUHEAMZMFAFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H71N4O.Pt/c1-65(2,3)51-34-35-70-62(42-51)73-60-33-30-48(46-24-18-15-19-25-46)38-59(60)58-32-31-56(44-61(58)73)74-57-41-53(69(13,14)50-28-22-17-23-29-50)40-55(43-57)72-45-71(63(67(7,8)9)64(72)68(10,11)12)54-37-49(47-26-20-16-21-27-47)36-52(39-54)66(4,5)6;/h15-42,45H,1-14H3;/q-3;.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum?
9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum has a molecular weight of 1167.43 g/mol, XLogP of 18.57, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162449705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).