[1-[3-[[3,6-ditert-butyl-10'-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-10-phenyl-9,9'-spirobi[acridine]-3'-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

C86H75N5OPt — CID 168796648

About [1-[3-[[3,6-ditert-butyl-10'-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-10-phenyl-9,9'-spirobi[acridine]-3'-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

[1-[3-[[3,6-ditert-butyl-10'-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-10-phenyl-9,9'-spirobi[acridine]-3'-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (PubChem CID 168796648) has the molecular formula C86H75N5OPt and a molecular weight of 1389.66 g/mol. Its IUPAC name is [1-[3-[[3,6-ditert-butyl-10'-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-10-phenyl-9,9'-spirobi[acridine]-3'-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[3-[[3,6-ditert-butyl-10'-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-10-phenyl-9,9'-spirobi[acridine]-3'-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
• PubChem CID: 168796648
• Molecular Formula: C86H75N5OPt
• Molecular Weight: 1389.66 g/mol
• Exact Mass: 1388.56
• IUPAC Name: [1-[3-[[3,6-ditert-butyl-10'-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-10-phenyl-9,9'-spirobi[acridine]-3'-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
• SMILES: Cc1cc(N2c3ccccc3C3(c4ccc(C(C)(C)C)cc4N(c4ccccc4)c4cc(C(C)(C)C)ccc43)c3ccc(Oc4cccc(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)c4)cc32)ncc1-c1ccc(C(C)(C)C)cc1
• InChI: InChI=1S/C86H75N5O.Pt/c1-57-50-81(87-55-70(57)60-40-42-61(43-41-60)83(2,3)4)91-75-37-21-20-36-71(75)86(72-47-44-62(84(5,6)7)51-78(72)90(64-30-18-13-19-31-64)79-52-63(85(8,9)10)45-48-73(79)86)74-49-46-67(54-80(74)91)92-66-33-24-32-65(53-66)88-56-89(77-39-23-22-38-76(77)88)82-68(58-26-14-11-15-27-58)34-25-35-69(82)59-28-16-12-17-29-59;/h11-55H,1-10H3
• InChIKey: DKVHWZBBPCAGSS-UHFFFAOYSA-N
• XLogP: 22.84
• TPSA: 38.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1389.66
LogP ≤ 5	22.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-[3-[[3,6-ditert-butyl-10'-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-10-phenyl-9,9'-spirobi[acridine]-3'-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-[3-[[3,6-ditert-butyl-10'-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-10-phenyl-9,9'-spirobi[acridine]-3'-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (CID 168796648) is [1-[3-[[3,6-ditert-butyl-10'-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-10-phenyl-9,9'-spirobi[acridine]-3'-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-[3-[[3,6-ditert-butyl-10'-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-10-phenyl-9,9'-spirobi[acridine]-3'-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-[3-[[3,6-ditert-butyl-10'-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-10-phenyl-9,9'-spirobi[acridine]-3'-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is Cc1cc(N2c3ccccc3C3(c4ccc(C(C)(C)C)cc4N(c4ccccc4)c4cc(C(C)(C)C)ccc43)c3ccc(Oc4cccc(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)c4)cc32)ncc1-c1ccc(C(C)(C)C)cc1.

What is the InChIKey of [1-[3-[[3,6-ditert-butyl-10'-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-10-phenyl-9,9'-spirobi[acridine]-3'-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The InChIKey is DKVHWZBBPCAGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H75N5O.Pt/c1-57-50-81(87-55-70(57)60-40-42-61(43-41-60)83(2,3)4)91-75-37-21-20-36-71(75)86(72-47-44-62(84(5,6)7)51-78(72)90(64-30-18-13-19-31-64)79-52-63(85(8,9)10)45-48-73(79)86)74-49-46-67(54-80(74)91)92-66-33-24-32-65(53-66)88-56-89(77-39-23-22-38-76(77)88)82-68(58-26-14-11-15-27-58)34-25-35-69(82)59-28-16-12-17-29-59;/h11-55H,1-10H3;.

What are the key properties of [1-[3-[[3,6-ditert-butyl-10'-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-10-phenyl-9,9'-spirobi[acridine]-3'-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

[1-[3-[[3,6-ditert-butyl-10'-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-10-phenyl-9,9'-spirobi[acridine]-3'-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum has a molecular weight of 1389.66 g/mol, XLogP of 22.84, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[[3,6-ditert-butyl-10'-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-10-phenyl-9,9'-spirobi[acridine]-3'-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 168796648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).