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

C68H69N4OPt-3 — CID 162449432

IUPAC2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-phenyl-2H-imidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
SMILESCC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2cc(C(C)(C)C)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2C=C(c3ccccc3)N(c3cc(C(C)(C)c4ccccc4)cc(C(C)(C)c4ccccc4)c3)[CH-]2)c1.[Pt]
InChIInChI=1S/C68H69N4O.Pt/c1-64(2,3)49-29-32-60-59(40-49)58-31-30-56(43-61(58)72(60)63-41-50(33-34-69-63)65(4,5)6)73-57-39-51(66(7,8)9)36-54(42-57)70-44-62(46-23-17-14-18-24-46)71(45-70)55-37-52(67(10,11)47-25-19-15-20-26-47)35-53(38-55)68(12,13)48-27-21-16-22-28-48;/h14-41,44-45H,1-13H3;/q-3;
InChIKeyFVNWNDKTMTWYDT-UHFFFAOYSA-N
MW1153.40 g/mol
LogP17.56
Rot. Bonds10

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

2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-phenyl-2H-imidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 162449432) has the molecular formula C68H69N4OPt-3 and a molecular weight of 1153.40 g/mol. Its IUPAC name is 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-phenyl-2H-imidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-phenyl-2H-imidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
PubChem CID162449432
Molecular FormulaC68H69N4OPt-3
Molecular Weight1153.40 g/mol
Exact Mass1152.51
IUPAC Name2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-phenyl-2H-imidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
SMILESCC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2cc(C(C)(C)C)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2C=C(c3ccccc3)N(c3cc(C(C)(C)c4ccccc4)cc(C(C)(C)c4ccccc4)c3)[CH-]2)c1.[Pt]
InChIInChI=1S/C68H69N4O.Pt/c1-64(2,3)49-29-32-60-59(40-49)58-31-30-56(43-61(58)72(60)63-41-50(33-34-69-63)65(4,5)6)73-57-39-51(66(7,8)9)36-54(42-57)70-44-62(46-23-17-14-18-24-46)71(45-70)55-37-52(67(10,11)47-25-19-15-20-26-47)35-53(38-55)68(12,13)48-27-21-16-22-28-48;/h14-41,44-45H,1-13H3;/q-3;
InChIKeyFVNWNDKTMTWYDT-UHFFFAOYSA-N
XLogP17.56
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms74
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001153.40
LogP ≤ 517.56
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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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-phenyl-2H-imidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?
The IUPAC name of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-phenyl-2H-imidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 162449432) is 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-phenyl-2H-imidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.
What is the SMILES notation for 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-phenyl-2H-imidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?
The canonical SMILES for 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-phenyl-2H-imidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2cc(C(C)(C)C)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2C=C(c3ccccc3)N(c3cc(C(C)(C)c4ccccc4)cc(C(C)(C)c4ccccc4)c3)[CH-]2)c1.[Pt].
What is the InChIKey of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-phenyl-2H-imidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?
The InChIKey is FVNWNDKTMTWYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H69N4O.Pt/c1-64(2,3)49-29-32-60-59(40-49)58-31-30-56(43-61(58)72(60)63-41-50(33-34-69-63)65(4,5)6)73-57-39-51(66(7,8)9)36-54(42-57)70-44-62(46-23-17-14-18-24-46)71(45-70)55-37-52(67(10,11)47-25-19-15-20-26-47)35-53(38-55)68(12,13)48-27-21-16-22-28-48;/h14-41,44-45H,1-13H3;/q-3;.
What are the key properties of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-phenyl-2H-imidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-phenyl-2H-imidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1153.40 g/mol, XLogP of 17.56, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-phenyl-2H-imidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162449432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).