2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[21-[2,6-di(propan-2-yl)phenyl]-24-oxa-19,21-diazahexacyclo[12.10.0.02,11.03,8.015,23.018,22]tetracosa-1(14),2(11),3,5,7,9,12,15(23),16,18(22),19-undecaen-20-yl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum

C76H71N4O2Pt- — CID 169309291

About 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[21-[2,6-di(propan-2-yl)phenyl]-24-oxa-19,21-diazahexacyclo[12.10.0.02,11.03,8.015,23.018,22]tetracosa-1(14),2(11),3,5,7,9,12,15(23),16,18(22),19-undecaen-20-yl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[21-[2,6-di(propan-2-yl)phenyl]-24-oxa-19,21-diazahexacyclo[12.10.0.02,11.03,8.015,23.018,22]tetracosa-1(14),2(11),3,5,7,9,12,15(23),16,18(22),19-undecaen-20-yl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum (PubChem CID 169309291) has the molecular formula C76H71N4O2Pt- and a molecular weight of 1267.51 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[21-[2,6-di(propan-2-yl)phenyl]-24-oxa-19,21-diazahexacyclo[12.10.0.02,11.03,8.015,23.018,22]tetracosa-1(14),2(11),3,5,7,9,12,15(23),16,18(22),19-undecaen-20-yl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[21-[2,6-di(propan-2-yl)phenyl]-24-oxa-19,21-diazahexacyclo[12.10.0.02,11.03,8.015,23.018,22]tetracosa-1(14),2(11),3,5,7,9,12,15(23),16,18(22),19-undecaen-20-yl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
• PubChem CID: 169309291
• Molecular Formula: C76H71N4O2Pt-
• Molecular Weight: 1267.51 g/mol
• Exact Mass: 1266.52
• IUPAC Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[21-[2,6-di(propan-2-yl)phenyl]-24-oxa-19,21-diazahexacyclo[12.10.0.02,11.03,8.015,23.018,22]tetracosa-1(14),2(11),3,5,7,9,12,15(23),16,18(22),19-undecaen-20-yl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3ccccc3-c3ccccc3)cc(C(C)(C)C)c2)nc2ccc3c4ccc5ccc6ccccc6c5c4oc3c21.[Pt]
• InChI: InChI=1S/C76H71N4O2.Pt/c1-44(2)53-28-21-29-54(45(3)4)67(53)80-68-62(38-37-59-58-36-35-48-34-33-47-25-17-18-27-56(47)65(48)70(58)82-71(59)68)77-72(80)50-39-49(40-51(41-50)74(5,6)7)57-30-22-32-64-66(57)78-73(60-42-52(75(8,9)10)43-61(69(60)81)76(11,12)13)79(64)63-31-20-19-26-55(63)46-23-15-14-16-24-46;/h14-38,40-45,81H,1-13H3;/q-1
• InChIKey: FYNQUHFXSNYWQH-UHFFFAOYSA-N
• XLogP: 20.88
• TPSA: 69.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1267.51
LogP ≤ 5	20.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[21-[2,6-di(propan-2-yl)phenyl]-24-oxa-19,21-diazahexacyclo[12.10.0.02,11.03,8.015,23.018,22]tetracosa-1(14),2(11),3,5,7,9,12,15(23),16,18(22),19-undecaen-20-yl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[21-[2,6-di(propan-2-yl)phenyl]-24-oxa-19,21-diazahexacyclo[12.10.0.02,11.03,8.015,23.018,22]tetracosa-1(14),2(11),3,5,7,9,12,15(23),16,18(22),19-undecaen-20-yl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum (CID 169309291) is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[21-[2,6-di(propan-2-yl)phenyl]-24-oxa-19,21-diazahexacyclo[12.10.0.02,11.03,8.015,23.018,22]tetracosa-1(14),2(11),3,5,7,9,12,15(23),16,18(22),19-undecaen-20-yl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[21-[2,6-di(propan-2-yl)phenyl]-24-oxa-19,21-diazahexacyclo[12.10.0.02,11.03,8.015,23.018,22]tetracosa-1(14),2(11),3,5,7,9,12,15(23),16,18(22),19-undecaen-20-yl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[21-[2,6-di(propan-2-yl)phenyl]-24-oxa-19,21-diazahexacyclo[12.10.0.02,11.03,8.015,23.018,22]tetracosa-1(14),2(11),3,5,7,9,12,15(23),16,18(22),19-undecaen-20-yl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum is CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3ccccc3-c3ccccc3)cc(C(C)(C)C)c2)nc2ccc3c4ccc5ccc6ccccc6c5c4oc3c21.[Pt].

What is the InChIKey of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[21-[2,6-di(propan-2-yl)phenyl]-24-oxa-19,21-diazahexacyclo[12.10.0.02,11.03,8.015,23.018,22]tetracosa-1(14),2(11),3,5,7,9,12,15(23),16,18(22),19-undecaen-20-yl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?

The InChIKey is FYNQUHFXSNYWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H71N4O2.Pt/c1-44(2)53-28-21-29-54(45(3)4)67(53)80-68-62(38-37-59-58-36-35-48-34-33-47-25-17-18-27-56(47)65(48)70(58)82-71(59)68)77-72(80)50-39-49(40-51(41-50)74(5,6)7)57-30-22-32-64-66(57)78-73(60-42-52(75(8,9)10)43-61(69(60)81)76(11,12)13)79(64)63-31-20-19-26-55(63)46-23-15-14-16-24-46;/h14-38,40-45,81H,1-13H3;/q-1;.

What are the key properties of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[21-[2,6-di(propan-2-yl)phenyl]-24-oxa-19,21-diazahexacyclo[12.10.0.02,11.03,8.015,23.018,22]tetracosa-1(14),2(11),3,5,7,9,12,15(23),16,18(22),19-undecaen-20-yl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[21-[2,6-di(propan-2-yl)phenyl]-24-oxa-19,21-diazahexacyclo[12.10.0.02,11.03,8.015,23.018,22]tetracosa-1(14),2(11),3,5,7,9,12,15(23),16,18(22),19-undecaen-20-yl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 1267.51 g/mol, XLogP of 20.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[21-[2,6-di(propan-2-yl)phenyl]-24-oxa-19,21-diazahexacyclo[12.10.0.02,11.03,8.015,23.018,22]tetracosa-1(14),2(11),3,5,7,9,12,15(23),16,18(22),19-undecaen-20-yl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 169309291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).