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

C76H77N4OPt-3 — CID 162448219

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

2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum (PubChem CID 162448219) has the molecular formula C76H77N4OPt-3 and a molecular weight of 1257.56 g/mol. Its IUPAC name is 2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum
• PubChem CID: 162448219
• Molecular Formula: C76H77N4OPt-3
• Molecular Weight: 1257.56 g/mol
• Exact Mass: 1256.58
• IUPAC Name: 2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)c1cccc(C(C)C)c1-c1cc(Oc2[c-]c3c(c(C(C)(C)c4ccccc4)c2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3cc(-c4ccccc4)cc(C(C)(C)c4ccccc4)c3)C=C2C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C76H77N4O.Pt/c1-50(2)63-34-26-35-64(51(3)4)71(63)54-41-60(79-49-78(48-69(79)74(8,9)10)59-40-53(52-27-18-15-19-28-52)39-58(43-59)75(11,12)55-29-20-16-21-30-55)45-61(42-54)81-62-46-66(76(13,14)56-31-22-17-23-32-56)72-65-33-24-25-36-67(65)80(68(72)47-62)70-44-57(37-38-77-70)73(5,6)7;/h15-44,46,48-51H,1-14H3;/q-3
• InChIKey: HOQROYDRJARXBL-UHFFFAOYSA-N
• XLogP: 20.43
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1257.56
LogP ≤ 5	20.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum (CID 162448219) is 2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum is CC(C)c1cccc(C(C)C)c1-c1cc(Oc2[c-]c3c(c(C(C)(C)c4ccccc4)c2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3cc(-c4ccccc4)cc(C(C)(C)c4ccccc4)c3)C=C2C(C)(C)C)c1.[Pt].

What is the InChIKey of 2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum?

The InChIKey is HOQROYDRJARXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H77N4O.Pt/c1-50(2)63-34-26-35-64(51(3)4)71(63)54-41-60(79-49-78(48-69(79)74(8,9)10)59-40-53(52-27-18-15-19-28-52)39-58(43-59)75(11,12)55-29-20-16-21-30-55)45-61(42-54)81-62-46-66(76(13,14)56-31-22-17-23-32-56)72-65-33-24-25-36-67(65)80(68(72)47-62)70-44-57(37-38-77-70)73(5,6)7;/h15-44,46,48-51H,1-14H3;/q-3;.

What are the key properties of 2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum?

2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum has a molecular weight of 1257.56 g/mol, XLogP of 20.43, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162448219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).