5-(3-tert-butylphenyl)-2-[9-[3-[3-[3-[3-(2,6-dimethylphenyl)phenyl]-4-phenyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]-4-methylpyridine;platinum

C64H52N3OPt-3 — CID 164704598

IUPAC5-(3-tert-butylphenyl)-2-[9-[3-[3-[3-[3-(2,6-dimethylphenyl)phenyl]-4-phenyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]-4-methylpyridine;platinum
SMILESCc1cc(C2(c3[c-]c(Oc4[c-]c(N5C=C(c6ccccc6)N(c6cccc(-c7c(C)cccc7C)c6)[CH-]5)ccc4)ccc3)c3ccccc3-c3ccccc32)ncc1-c1cccc(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C64H52N3O.Pt/c1-43-19-14-20-44(2)62(43)48-24-16-28-52(37-48)67-42-66(41-60(67)46-21-8-7-9-22-46)51-27-18-30-54(39-51)68-53-29-17-26-50(38-53)64(58-33-12-10-31-55(58)56-32-11-13-34-59(56)64)61-35-45(3)57(40-65-61)47-23-15-25-49(36-47)63(4,5)6;/h7-37,40-42H,1-6H3;/q-3;
InChIKeyRSLOHNNQKVOJTC-UHFFFAOYSA-N
MW1074.22 g/mol
LogP15.84
Rot. Bonds9

About 5-(3-tert-butylphenyl)-2-[9-[3-[3-[3-[3-(2,6-dimethylphenyl)phenyl]-4-phenyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]-4-methylpyridine;platinum

5-(3-tert-butylphenyl)-2-[9-[3-[3-[3-[3-(2,6-dimethylphenyl)phenyl]-4-phenyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]-4-methylpyridine;platinum (PubChem CID 164704598) has the molecular formula C64H52N3OPt-3 and a molecular weight of 1074.22 g/mol. Its IUPAC name is 5-(3-tert-butylphenyl)-2-[9-[3-[3-[3-[3-(2,6-dimethylphenyl)phenyl]-4-phenyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]-4-methylpyridine;platinum.

Molecular Properties

Compound Name5-(3-tert-butylphenyl)-2-[9-[3-[3-[3-[3-(2,6-dimethylphenyl)phenyl]-4-phenyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]-4-methylpyridine;platinum
PubChem CID164704598
Molecular FormulaC64H52N3OPt-3
Molecular Weight1074.22 g/mol
Exact Mass1073.38
IUPAC Name5-(3-tert-butylphenyl)-2-[9-[3-[3-[3-[3-(2,6-dimethylphenyl)phenyl]-4-phenyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]-4-methylpyridine;platinum
SMILESCc1cc(C2(c3[c-]c(Oc4[c-]c(N5C=C(c6ccccc6)N(c6cccc(-c7c(C)cccc7C)c6)[CH-]5)ccc4)ccc3)c3ccccc3-c3ccccc32)ncc1-c1cccc(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C64H52N3O.Pt/c1-43-19-14-20-44(2)62(43)48-24-16-28-52(37-48)67-42-66(41-60(67)46-21-8-7-9-22-46)51-27-18-30-54(39-51)68-53-29-17-26-50(38-53)64(58-33-12-10-31-55(58)56-32-11-13-34-59(56)64)61-35-45(3)57(40-65-61)47-23-15-25-49(36-47)63(4,5)6;/h7-37,40-42H,1-6H3;/q-3;
InChIKeyRSLOHNNQKVOJTC-UHFFFAOYSA-N
XLogP15.84
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms69
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001074.22
LogP ≤ 515.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5-(3-tert-butylphenyl)-2-[9-[3-[3-[3-[3-(2,6-dimethylphenyl)phenyl]-4-phenyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]-4-methylpyridine;platinum?
The IUPAC name of 5-(3-tert-butylphenyl)-2-[9-[3-[3-[3-[3-(2,6-dimethylphenyl)phenyl]-4-phenyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]-4-methylpyridine;platinum (CID 164704598) is 5-(3-tert-butylphenyl)-2-[9-[3-[3-[3-[3-(2,6-dimethylphenyl)phenyl]-4-phenyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]-4-methylpyridine;platinum.
What is the SMILES notation for 5-(3-tert-butylphenyl)-2-[9-[3-[3-[3-[3-(2,6-dimethylphenyl)phenyl]-4-phenyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]-4-methylpyridine;platinum?
The canonical SMILES for 5-(3-tert-butylphenyl)-2-[9-[3-[3-[3-[3-(2,6-dimethylphenyl)phenyl]-4-phenyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]-4-methylpyridine;platinum is Cc1cc(C2(c3[c-]c(Oc4[c-]c(N5C=C(c6ccccc6)N(c6cccc(-c7c(C)cccc7C)c6)[CH-]5)ccc4)ccc3)c3ccccc3-c3ccccc32)ncc1-c1cccc(C(C)(C)C)c1.[Pt].
What is the InChIKey of 5-(3-tert-butylphenyl)-2-[9-[3-[3-[3-[3-(2,6-dimethylphenyl)phenyl]-4-phenyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]-4-methylpyridine;platinum?
The InChIKey is RSLOHNNQKVOJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H52N3O.Pt/c1-43-19-14-20-44(2)62(43)48-24-16-28-52(37-48)67-42-66(41-60(67)46-21-8-7-9-22-46)51-27-18-30-54(39-51)68-53-29-17-26-50(38-53)64(58-33-12-10-31-55(58)56-32-11-13-34-59(56)64)61-35-45(3)57(40-65-61)47-23-15-25-49(36-47)63(4,5)6;/h7-37,40-42H,1-6H3;/q-3;.
What are the key properties of 5-(3-tert-butylphenyl)-2-[9-[3-[3-[3-[3-(2,6-dimethylphenyl)phenyl]-4-phenyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]-4-methylpyridine;platinum?
5-(3-tert-butylphenyl)-2-[9-[3-[3-[3-[3-(2,6-dimethylphenyl)phenyl]-4-phenyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]-4-methylpyridine;platinum has a molecular weight of 1074.22 g/mol, XLogP of 15.84, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butylphenyl)-2-[9-[3-[3-[3-[3-(2,6-dimethylphenyl)phenyl]-4-phenyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]-4-methylpyridine;platinum is sourced from PubChem (CID 164704598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).