4-(3,6-ditert-butylcarbazol-9-yl)-2-[2-[[[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenoxy]methyl-diethylsilyl]methoxy]phenyl]thiophen-3-ol;[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenyl]-[[[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenyl]oxoniomethyl-diethylsilyl]methyl]oxidanium;hafnium;hafnium(4+);methanidylbenzene

C174H192Hf2N4O8S4Si2 — CID 163667969

IUPAC4-(3,6-ditert-butylcarbazol-9-yl)-2-[2-[[[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenoxy]methyl-diethylsilyl]methoxy]phenyl]thiophen-3-ol;[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenyl]-[[[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenyl]oxoniomethyl-diethylsilyl]methyl]oxidanium;hafnium;hafnium(4+);methanidylbenzene
SMILESCC[Si](CC)(COc1ccccc1-c1scc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1O)COc1ccccc1-c1scc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1O.CC[Si](CC)(C[OH+]c1ccccc1-c1scc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1O)C[OH+]c1ccccc1-c1scc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1O.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Hf+4].[Hf]
InChIInChI=1S/2C66H74N2O4S2Si.6C7H7.2Hf/c2*1-15-75(16-2,39-71-57-23-19-17-21-45(57)61-59(69)55(37-73-61)67-51-29-25-41(63(3,4)5)33-47(51)48-34-42(64(6,7)8)26-30-52(48)67)40-72-58-24-20-18-22-46(58)62-60(70)56(38-74-62)68-53-31-27-43(65(9,10)11)35-49(53)50-36-44(66(12,13)14)28-32-54(50)68;6*1-7-5-3-2-4-6-7;;/h2*17-38,69-70H,15-16,39-40H2,1-14H3;6*2-6H,1H2;;/q;;6*-1;;+4/p+2
InChIKeyWAQJNHRHAQLAKS-UHFFFAOYSA-P
MW3008.89 g/mol
LogP48.86
Rot. Bonds24

About 4-(3,6-ditert-butylcarbazol-9-yl)-2-[2-[[[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenoxy]methyl-diethylsilyl]methoxy]phenyl]thiophen-3-ol;[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenyl]-[[[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenyl]oxoniomethyl-diethylsilyl]methyl]oxidanium;hafnium;hafnium(4+);methanidylbenzene

4-(3,6-ditert-butylcarbazol-9-yl)-2-[2-[[[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenoxy]methyl-diethylsilyl]methoxy]phenyl]thiophen-3-ol;[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenyl]-[[[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenyl]oxoniomethyl-diethylsilyl]methyl]oxidanium;hafnium;hafnium(4+);methanidylbenzene (PubChem CID 163667969) has the molecular formula C174H192Hf2N4O8S4Si2 and a molecular weight of 3008.89 g/mol. Its IUPAC name is 4-(3,6-ditert-butylcarbazol-9-yl)-2-[2-[[[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenoxy]methyl-diethylsilyl]methoxy]phenyl]thiophen-3-ol;[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenyl]-[[[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenyl]oxoniomethyl-diethylsilyl]methyl]oxidanium;hafnium;hafnium(4+);methanidylbenzene.

Molecular Properties

Compound Name4-(3,6-ditert-butylcarbazol-9-yl)-2-[2-[[[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenoxy]methyl-diethylsilyl]methoxy]phenyl]thiophen-3-ol;[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenyl]-[[[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenyl]oxoniomethyl-diethylsilyl]methyl]oxidanium;hafnium;hafnium(4+);methanidylbenzene
PubChem CID163667969
Molecular FormulaC174H192Hf2N4O8S4Si2
Molecular Weight3008.89 g/mol
Exact Mass3009.21
IUPAC Name4-(3,6-ditert-butylcarbazol-9-yl)-2-[2-[[[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenoxy]methyl-diethylsilyl]methoxy]phenyl]thiophen-3-ol;[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenyl]-[[[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenyl]oxoniomethyl-diethylsilyl]methyl]oxidanium;hafnium;hafnium(4+);methanidylbenzene
SMILESCC[Si](CC)(COc1ccccc1-c1scc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1O)COc1ccccc1-c1scc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1O.CC[Si](CC)(C[OH+]c1ccccc1-c1scc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1O)C[OH+]c1ccccc1-c1scc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1O.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Hf+4].[Hf]
InChIInChI=1S/2C66H74N2O4S2Si.6C7H7.2Hf/c2*1-15-75(16-2,39-71-57-23-19-17-21-45(57)61-59(69)55(37-73-61)67-51-29-25-41(63(3,4)5)33-47(51)48-34-42(64(6,7)8)26-30-52(48)67)40-72-58-24-20-18-22-46(58)62-60(70)56(38-74-62)68-53-31-27-43(65(9,10)11)35-49(53)50-36-44(66(12,13)14)28-32-54(50)68;6*1-7-5-3-2-4-6-7;;/h2*17-38,69-70H,15-16,39-40H2,1-14H3;6*2-6H,1H2;;/q;;6*-1;;+4/p+2
InChIKeyWAQJNHRHAQLAKS-UHFFFAOYSA-P
XLogP48.86
TPSA144.70 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003008.89
LogP ≤ 548.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-(3,6-ditert-butylcarbazol-9-yl)-2-[2-[[[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenoxy]methyl-diethylsilyl]methoxy]phenyl]thiophen-3-ol;[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenyl]-[[[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenyl]oxoniomethyl-diethylsilyl]methyl]oxidanium;hafnium;hafnium(4+);methanidylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3,6-ditert-butylcarbazol-9-yl)-2-[2-[[[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenoxy]methyl-diethylsilyl]methoxy]phenyl]thiophen-3-ol;[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenyl]-[[[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenyl]oxoniomethyl-diethylsilyl]methyl]oxidanium;hafnium;hafnium(4+);methanidylbenzene?
The IUPAC name of 4-(3,6-ditert-butylcarbazol-9-yl)-2-[2-[[[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenoxy]methyl-diethylsilyl]methoxy]phenyl]thiophen-3-ol;[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenyl]-[[[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenyl]oxoniomethyl-diethylsilyl]methyl]oxidanium;hafnium;hafnium(4+);methanidylbenzene (CID 163667969) is 4-(3,6-ditert-butylcarbazol-9-yl)-2-[2-[[[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenoxy]methyl-diethylsilyl]methoxy]phenyl]thiophen-3-ol;[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenyl]-[[[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenyl]oxoniomethyl-diethylsilyl]methyl]oxidanium;hafnium;hafnium(4+);methanidylbenzene.
What is the SMILES notation for 4-(3,6-ditert-butylcarbazol-9-yl)-2-[2-[[[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenoxy]methyl-diethylsilyl]methoxy]phenyl]thiophen-3-ol;[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenyl]-[[[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenyl]oxoniomethyl-diethylsilyl]methyl]oxidanium;hafnium;hafnium(4+);methanidylbenzene?
The canonical SMILES for 4-(3,6-ditert-butylcarbazol-9-yl)-2-[2-[[[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenoxy]methyl-diethylsilyl]methoxy]phenyl]thiophen-3-ol;[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenyl]-[[[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenyl]oxoniomethyl-diethylsilyl]methyl]oxidanium;hafnium;hafnium(4+);methanidylbenzene is CC[Si](CC)(COc1ccccc1-c1scc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1O)COc1ccccc1-c1scc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1O.CC[Si](CC)(C[OH+]c1ccccc1-c1scc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1O)C[OH+]c1ccccc1-c1scc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1O.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Hf+4].[Hf].
What is the InChIKey of 4-(3,6-ditert-butylcarbazol-9-yl)-2-[2-[[[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenoxy]methyl-diethylsilyl]methoxy]phenyl]thiophen-3-ol;[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenyl]-[[[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenyl]oxoniomethyl-diethylsilyl]methyl]oxidanium;hafnium;hafnium(4+);methanidylbenzene?
The InChIKey is WAQJNHRHAQLAKS-UHFFFAOYSA-P. The full InChI is InChI=1S/2C66H74N2O4S2Si.6C7H7.2Hf/c2*1-15-75(16-2,39-71-57-23-19-17-21-45(57)61-59(69)55(37-73-61)67-51-29-25-41(63(3,4)5)33-47(51)48-34-42(64(6,7)8)26-30-52(48)67)40-72-58-24-20-18-22-46(58)62-60(70)56(38-74-62)68-53-31-27-43(65(9,10)11)35-49(53)50-36-44(66(12,13)14)28-32-54(50)68;6*1-7-5-3-2-4-6-7;;/h2*17-38,69-70H,15-16,39-40H2,1-14H3;6*2-6H,1H2;;/q;;6*-1;;+4/p+2.
What are the key properties of 4-(3,6-ditert-butylcarbazol-9-yl)-2-[2-[[[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenoxy]methyl-diethylsilyl]methoxy]phenyl]thiophen-3-ol;[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenyl]-[[[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenyl]oxoniomethyl-diethylsilyl]methyl]oxidanium;hafnium;hafnium(4+);methanidylbenzene?
4-(3,6-ditert-butylcarbazol-9-yl)-2-[2-[[[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenoxy]methyl-diethylsilyl]methoxy]phenyl]thiophen-3-ol;[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenyl]-[[[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenyl]oxoniomethyl-diethylsilyl]methyl]oxidanium;hafnium;hafnium(4+);methanidylbenzene has a molecular weight of 3008.89 g/mol, XLogP of 48.86, 24 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-ditert-butylcarbazol-9-yl)-2-[2-[[[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenoxy]methyl-diethylsilyl]methoxy]phenyl]thiophen-3-ol;[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenyl]-[[[2-[4-(3,6-ditert-butylcarbazol-9-yl)-3-hydroxythiophen-2-yl]phenyl]oxoniomethyl-diethylsilyl]methyl]oxidanium;hafnium;hafnium(4+);methanidylbenzene is sourced from PubChem (CID 163667969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).