carbanide;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-ethyl-4-fluorophenyl]-[(2R,4S)-4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-methanidyloxonio]pentan-2-yl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[(2R,4R)-4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-propan-2-ylphenyl]-methanidyloxonio]pentan-2-yl]-methanidyloxidanium;hafnium;zirconium(2+)

C183H238F4HfN4O8Zr-2 — CID 159606304

About carbanide;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-ethyl-4-fluorophenyl]-[(2R,4S)-4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-methanidyloxonio]pentan-2-yl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[(2R,4R)-4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-propan-2-ylphenyl]-methanidyloxonio]pentan-2-yl]-methanidyloxidanium;hafnium;zirconium(2+)

carbanide;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-ethyl-4-fluorophenyl]-[(2R,4S)-4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-methanidyloxonio]pentan-2-yl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[(2R,4R)-4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-propan-2-ylphenyl]-methanidyloxonio]pentan-2-yl]-methanidyloxidanium;hafnium;zirconium(2+) (PubChem CID 159606304) has the molecular formula C183H238F4HfN4O8Zr-2 and a molecular weight of 2967.64 g/mol. Its IUPAC name is carbanide;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-ethyl-4-fluorophenyl]-[(2R,4S)-4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-methanidyloxonio]pentan-2-yl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[(2R,4R)-4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-propan-2-ylphenyl]-methanidyloxonio]pentan-2-yl]-methanidyloxidanium;hafnium;zirconium(2+).

Molecular Properties

• Compound Name: carbanide;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-ethyl-4-fluorophenyl]-[(2R,4S)-4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-methanidyloxonio]pentan-2-yl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[(2R,4R)-4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-propan-2-ylphenyl]-methanidyloxonio]pentan-2-yl]-methanidyloxidanium;hafnium;zirconium(2+)
• PubChem CID: 159606304
• Molecular Formula: C183H238F4HfN4O8Zr-2
• Molecular Weight: 2967.64 g/mol
• Exact Mass: 2965.68
• IUPAC Name: carbanide;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-ethyl-4-fluorophenyl]-[(2R,4S)-4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-methanidyloxonio]pentan-2-yl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[(2R,4R)-4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-propan-2-ylphenyl]-methanidyloxonio]pentan-2-yl]-methanidyloxidanium;hafnium;zirconium(2+)
• SMILES: [CH2-][O+](c1c(CC)cc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1O)[C@H](C)C[C@H](C)[O+]([CH2-])c1ccc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1O.[CH2-][O+](c1ccc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1O)[C@H](C)C[C@@H](C)[O+]([CH2-])c1c(-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)c2O)cc(F)cc1C(C)C.[CH3-].[CH3-].[CH3-].[CH3-].[Hf].[Zr+2]
• InChI: InChI=1S/C90H114F2N2O4.C89H112F2N2O4.4CH3.Hf.Zr/c1-53(2)68-49-63(92)50-72(71-41-61(90(25,26)52-84(8,9)10)47-78(81(71)96)94-75-44-58(87(17,18)19)31-36-66(75)67-37-32-59(45-76(67)94)88(20,21)22)82(68)98(28)55(4)39-54(3)97(27)79-38-33-62(91)48-69(79)70-40-60(89(23,24)51-83(5,6)7)46-77(80(70)95)93-73-42-56(85(11,12)13)29-34-64(73)65-35-30-57(43-74(65)93)86(14,15)16;1-28-55-40-63(91)50-71(70-42-61(89(24,25)52-83(7,8)9)48-77(80(70)95)93-74-45-58(86(16,17)18)31-36-66(74)67-37-32-59(46-75(67)93)87(19,20)21)81(55)97(27)54(3)39-53(2)96(26)78-38-33-62(90)49-68(78)69-41-60(88(22,23)51-82(4,5)6)47-76(79(69)94)92-72-43-56(84(10,11)12)29-34-64(72)65-35-30-57(44-73(65)92)85(13,14)15;;;;;;/h29-38,40-50,53-55,95-96H,27-28,39,51-52H2,1-26H3;29-38,40-50,53-54,94-95H,26-28,39,51-52H2,1-25H3;4*1H3;;/q;;4*-1;;+2/t54-,55-;53-,54+;;;;;;/m10....../s1
• InChIKey: WAOZNGIPNHZTQP-IUBLCWJVSA-N
• XLogP: 54.49
• TPSA: 111.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 30
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2967.64
LogP ≤ 5	54.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-ethyl-4-fluorophenyl]-[(2R,4S)-4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-methanidyloxonio]pentan-2-yl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[(2R,4R)-4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-propan-2-ylphenyl]-methanidyloxonio]pentan-2-yl]-methanidyloxidanium;hafnium;zirconium(2+)?

The IUPAC name of carbanide;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-ethyl-4-fluorophenyl]-[(2R,4S)-4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-methanidyloxonio]pentan-2-yl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[(2R,4R)-4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-propan-2-ylphenyl]-methanidyloxonio]pentan-2-yl]-methanidyloxidanium;hafnium;zirconium(2+) (CID 159606304) is carbanide;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-ethyl-4-fluorophenyl]-[(2R,4S)-4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-methanidyloxonio]pentan-2-yl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[(2R,4R)-4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-propan-2-ylphenyl]-methanidyloxonio]pentan-2-yl]-methanidyloxidanium;hafnium;zirconium(2+).

What is the SMILES notation for carbanide;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-ethyl-4-fluorophenyl]-[(2R,4S)-4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-methanidyloxonio]pentan-2-yl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[(2R,4R)-4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-propan-2-ylphenyl]-methanidyloxonio]pentan-2-yl]-methanidyloxidanium;hafnium;zirconium(2+)?

The canonical SMILES for carbanide;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-ethyl-4-fluorophenyl]-[(2R,4S)-4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-methanidyloxonio]pentan-2-yl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[(2R,4R)-4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-propan-2-ylphenyl]-methanidyloxonio]pentan-2-yl]-methanidyloxidanium;hafnium;zirconium(2+) is [CH2-][O+](c1c(CC)cc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1O)[C@H](C)C[C@H](C)[O+]([CH2-])c1ccc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1O.[CH2-][O+](c1ccc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1O)[C@H](C)C[C@@H](C)[O+]([CH2-])c1c(-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)c2O)cc(F)cc1C(C)C.[CH3-].[CH3-].[CH3-].[CH3-].[Hf].[Zr+2].

What is the InChIKey of carbanide;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-ethyl-4-fluorophenyl]-[(2R,4S)-4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-methanidyloxonio]pentan-2-yl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[(2R,4R)-4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-propan-2-ylphenyl]-methanidyloxonio]pentan-2-yl]-methanidyloxidanium;hafnium;zirconium(2+)?

The InChIKey is WAOZNGIPNHZTQP-IUBLCWJVSA-N. The full InChI is InChI=1S/C90H114F2N2O4.C89H112F2N2O4.4CH3.Hf.Zr/c1-53(2)68-49-63(92)50-72(71-41-61(90(25,26)52-84(8,9)10)47-78(81(71)96)94-75-44-58(87(17,18)19)31-36-66(75)67-37-32-59(45-76(67)94)88(20,21)22)82(68)98(28)55(4)39-54(3)97(27)79-38-33-62(91)48-69(79)70-40-60(89(23,24)51-83(5,6)7)46-77(80(70)95)93-73-42-56(85(11,12)13)29-34-64(73)65-35-30-57(43-74(65)93)86(14,15)16;1-28-55-40-63(91)50-71(70-42-61(89(24,25)52-83(7,8)9)48-77(80(70)95)93-74-45-58(86(16,17)18)31-36-66(74)67-37-32-59(46-75(67)93)87(19,20)21)81(55)97(27)54(3)39-53(2)96(26)78-38-33-62(90)49-68(78)69-41-60(88(22,23)51-82(4,5)6)47-76(79(69)94)92-72-43-56(84(10,11)12)29-34-64(72)65-35-30-57(44-73(65)92)85(13,14)15;;;;;;/h29-38,40-50,53-55,95-96H,27-28,39,51-52H2,1-26H3;29-38,40-50,53-54,94-95H,26-28,39,51-52H2,1-25H3;4*1H3;;/q;;4*-1;;+2/t54-,55-;53-,54+;;;;;;/m10....../s1.

What are the key properties of carbanide;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-ethyl-4-fluorophenyl]-[(2R,4S)-4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-methanidyloxonio]pentan-2-yl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[(2R,4R)-4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-propan-2-ylphenyl]-methanidyloxonio]pentan-2-yl]-methanidyloxidanium;hafnium;zirconium(2+)?

carbanide;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-ethyl-4-fluorophenyl]-[(2R,4S)-4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-methanidyloxonio]pentan-2-yl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[(2R,4R)-4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-propan-2-ylphenyl]-methanidyloxonio]pentan-2-yl]-methanidyloxidanium;hafnium;zirconium(2+) has a molecular weight of 2967.64 g/mol, XLogP of 54.49, 30 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-ethyl-4-fluorophenyl]-[(2R,4S)-4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-methanidyloxonio]pentan-2-yl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[(2R,4R)-4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-propan-2-ylphenyl]-methanidyloxonio]pentan-2-yl]-methanidyloxidanium;hafnium;zirconium(2+) is sourced from PubChem (CID 159606304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).