9-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-10-ol;platinum

C68H64N3O2Pt- — CID 164772109

IUPAC9-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-10-ol;platinum
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1cccc2c1ccc1oc3cc(-c4nc5c(-c6[c-]c(-c7ccccn7)ccc6)cccc5n4-c4c(C(C)C)cc(C(C)(C)C)cc4C(C)C)c(O)cc3c12.[Pt]
InChIInChI=1S/C68H64N3O2.Pt/c1-39(2)52-33-46(43-20-13-12-14-21-43)34-53(40(3)4)63(52)50-25-18-26-51-49(50)29-30-61-64(51)57-37-60(72)56(38-62(57)73-61)67-70-65-48(44-22-17-23-45(32-44)58-27-15-16-31-69-58)24-19-28-59(65)71(67)66-54(41(5)6)35-47(68(9,10)11)36-55(66)42(7)8;/h12-31,33-42,72H,1-11H3;/q-1;
InChIKeySGMNPPLOTQMNOK-UHFFFAOYSA-N
MW1150.36 g/mol
LogP19.10
Rot. Bonds10

About 9-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-10-ol;platinum

9-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-10-ol;platinum (PubChem CID 164772109) has the molecular formula C68H64N3O2Pt- and a molecular weight of 1150.36 g/mol. Its IUPAC name is 9-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-10-ol;platinum.

Molecular Properties

Compound Name9-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-10-ol;platinum
PubChem CID164772109
Molecular FormulaC68H64N3O2Pt-
Molecular Weight1150.36 g/mol
Exact Mass1149.47
IUPAC Name9-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-10-ol;platinum
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1cccc2c1ccc1oc3cc(-c4nc5c(-c6[c-]c(-c7ccccn7)ccc6)cccc5n4-c4c(C(C)C)cc(C(C)(C)C)cc4C(C)C)c(O)cc3c12.[Pt]
InChIInChI=1S/C68H64N3O2.Pt/c1-39(2)52-33-46(43-20-13-12-14-21-43)34-53(40(3)4)63(52)50-25-18-26-51-49(50)29-30-61-64(51)57-37-60(72)56(38-62(57)73-61)67-70-65-48(44-22-17-23-45(32-44)58-27-15-16-31-69-58)24-19-28-59(65)71(67)66-54(41(5)6)35-47(68(9,10)11)36-55(66)42(7)8;/h12-31,33-42,72H,1-11H3;/q-1;
InChIKeySGMNPPLOTQMNOK-UHFFFAOYSA-N
XLogP19.10
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms74
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001150.36
LogP ≤ 519.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-10-ol;platinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-10-ol;platinum?
The IUPAC name of 9-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-10-ol;platinum (CID 164772109) is 9-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-10-ol;platinum.
What is the SMILES notation for 9-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-10-ol;platinum?
The canonical SMILES for 9-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-10-ol;platinum is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1cccc2c1ccc1oc3cc(-c4nc5c(-c6[c-]c(-c7ccccn7)ccc6)cccc5n4-c4c(C(C)C)cc(C(C)(C)C)cc4C(C)C)c(O)cc3c12.[Pt].
What is the InChIKey of 9-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-10-ol;platinum?
The InChIKey is SGMNPPLOTQMNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H64N3O2.Pt/c1-39(2)52-33-46(43-20-13-12-14-21-43)34-53(40(3)4)63(52)50-25-18-26-51-49(50)29-30-61-64(51)57-37-60(72)56(38-62(57)73-61)67-70-65-48(44-22-17-23-45(32-44)58-27-15-16-31-69-58)24-19-28-59(65)71(67)66-54(41(5)6)35-47(68(9,10)11)36-55(66)42(7)8;/h12-31,33-42,72H,1-11H3;/q-1;.
What are the key properties of 9-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-10-ol;platinum?
9-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-10-ol;platinum has a molecular weight of 1150.36 g/mol, XLogP of 19.10, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-10-ol;platinum is sourced from PubChem (CID 164772109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).