[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[4,12-ditert-butyl-8-(4-tert-butyl-2-pyridinyl)-21-phenyl-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9(14),10,12,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum

C82H77N5OPt — CID 168796864

About [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[4,12-ditert-butyl-8-(4-tert-butyl-2-pyridinyl)-21-phenyl-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9(14),10,12,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum

[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[4,12-ditert-butyl-8-(4-tert-butyl-2-pyridinyl)-21-phenyl-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9(14),10,12,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum (PubChem CID 168796864) has the molecular formula C82H77N5OPt and a molecular weight of 1343.63 g/mol. Its IUPAC name is [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[4,12-ditert-butyl-8-(4-tert-butyl-2-pyridinyl)-21-phenyl-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9(14),10,12,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[4,12-ditert-butyl-8-(4-tert-butyl-2-pyridinyl)-21-phenyl-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9(14),10,12,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum
• PubChem CID: 168796864
• Molecular Formula: C82H77N5OPt
• Molecular Weight: 1343.63 g/mol
• Exact Mass: 1342.58
• IUPAC Name: [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[4,12-ditert-butyl-8-(4-tert-butyl-2-pyridinyl)-21-phenyl-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9(14),10,12,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum
• SMILES: CC(C)(C)c1ccnc(N2c3ccc(C(C)(C)C)cc3-c3ccccc3N(c3ccccc3)c3ccccc3-c3cc(C(C)(C)C)c(Oc4cccc(-n5c(=[Pt])n(-c6c(-c7ccccc7)cc(C(C)(C)C)cc6-c6ccccc6)c6ccccc65)c4)cc32)c1
• InChI: InChI=1S/C82H77N5O.Pt/c1-79(2,3)57-43-44-72-67(47-57)63-37-22-24-39-70(63)86(60-33-20-15-21-34-60)71-40-25-23-38-64(71)68-52-69(82(10,11)12)76(53-75(68)87(72)77-50-58(45-46-83-77)80(4,5)6)88-62-36-28-35-61(51-62)84-54-85(74-42-27-26-41-73(74)84)78-65(55-29-16-13-17-30-55)48-59(81(7,8)9)49-66(78)56-31-18-14-19-32-56;/h13-53H,1-12H3
• InChIKey: HDBQFRYPYAGTPA-UHFFFAOYSA-N
• XLogP: 22.80
• TPSA: 38.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1343.63
LogP ≤ 5	22.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[4,12-ditert-butyl-8-(4-tert-butyl-2-pyridinyl)-21-phenyl-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9(14),10,12,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[4,12-ditert-butyl-8-(4-tert-butyl-2-pyridinyl)-21-phenyl-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9(14),10,12,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum (CID 168796864) is [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[4,12-ditert-butyl-8-(4-tert-butyl-2-pyridinyl)-21-phenyl-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9(14),10,12,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[4,12-ditert-butyl-8-(4-tert-butyl-2-pyridinyl)-21-phenyl-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9(14),10,12,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[4,12-ditert-butyl-8-(4-tert-butyl-2-pyridinyl)-21-phenyl-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9(14),10,12,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum is CC(C)(C)c1ccnc(N2c3ccc(C(C)(C)C)cc3-c3ccccc3N(c3ccccc3)c3ccccc3-c3cc(C(C)(C)C)c(Oc4cccc(-n5c(=[Pt])n(-c6c(-c7ccccc7)cc(C(C)(C)C)cc6-c6ccccc6)c6ccccc65)c4)cc32)c1.

What is the InChIKey of [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[4,12-ditert-butyl-8-(4-tert-butyl-2-pyridinyl)-21-phenyl-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9(14),10,12,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum?

The InChIKey is HDBQFRYPYAGTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H77N5O.Pt/c1-79(2,3)57-43-44-72-67(47-57)63-37-22-24-39-70(63)86(60-33-20-15-21-34-60)71-40-25-23-38-64(71)68-52-69(82(10,11)12)76(53-75(68)87(72)77-50-58(45-46-83-77)80(4,5)6)88-62-36-28-35-61(51-62)84-54-85(74-42-27-26-41-73(74)84)78-65(55-29-16-13-17-30-55)48-59(81(7,8)9)49-66(78)56-31-18-14-19-32-56;/h13-53H,1-12H3;.

What are the key properties of [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[4,12-ditert-butyl-8-(4-tert-butyl-2-pyridinyl)-21-phenyl-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9(14),10,12,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum?

[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[4,12-ditert-butyl-8-(4-tert-butyl-2-pyridinyl)-21-phenyl-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9(14),10,12,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum has a molecular weight of 1343.63 g/mol, XLogP of 22.80, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[4,12-ditert-butyl-8-(4-tert-butyl-2-pyridinyl)-21-phenyl-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9(14),10,12,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 168796864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).