carbanide;2-(2,3-dihydrocarbazol-9-yl)-6-[2-[[2-[[2-[3-(2,3-dihydrocarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]azanide;hafnium(4+);zirconium(2+)

C92H112HfN4O4Zr — CID 161097934

IUPACcarbanide;2-(2,3-dihydrocarbazol-9-yl)-6-[2-[[2-[[2-[3-(2,3-dihydrocarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]azanide;hafnium(4+);zirconium(2+)
SMILESC/C(=N\c1c(C(C)C)cccc1C(C)C)C(C)(C)[N-]c1c(C(C)C)cccc1C(C)C.Cc1cc(-c2ccccc2OCC2CCCCC2COc2ccccc2-c2cc(C)cc(-n3c4c(c5ccccc53)=CCCC=4)c2O)c(O)c(-n2c3c(c4ccccc42)=CCCC=3)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf+4].[Zr+2]
InChIInChI=1S/C58H54N2O4.C29H43N2.5CH3.Hf.Zr/c1-37-31-47(57(61)53(33-37)59-49-25-11-5-19-41(49)42-20-6-12-26-50(42)59)45-23-9-15-29-55(45)63-35-39-17-3-4-18-40(39)36-64-56-30-16-10-24-46(56)48-32-38(2)34-54(58(48)62)60-51-27-13-7-21-43(51)44-22-8-14-28-52(44)60;1-18(2)23-14-12-15-24(19(3)4)27(23)30-22(9)29(10,11)31-28-25(20(5)6)16-13-17-26(28)21(7)8;;;;;;;/h5,7,9-11,13,15-16,19-34,39-40,61-62H,3-4,6,8,12,14,17-18,35-36H2,1-2H3;12-21H,1-11H3;5*1H3;;/q;6*-1;+4;+2/b;30-22+;;;;;;;
InChIKeyLHPRYSLPCXWHEW-IUJMCBHRSA-N
MW1607.65 g/mol
LogP22.91
Rot. Bonds18

About carbanide;2-(2,3-dihydrocarbazol-9-yl)-6-[2-[[2-[[2-[3-(2,3-dihydrocarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]azanide;hafnium(4+);zirconium(2+)

carbanide;2-(2,3-dihydrocarbazol-9-yl)-6-[2-[[2-[[2-[3-(2,3-dihydrocarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]azanide;hafnium(4+);zirconium(2+) (PubChem CID 161097934) has the molecular formula C92H112HfN4O4Zr and a molecular weight of 1607.65 g/mol. Its IUPAC name is carbanide;2-(2,3-dihydrocarbazol-9-yl)-6-[2-[[2-[[2-[3-(2,3-dihydrocarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]azanide;hafnium(4+);zirconium(2+).

Molecular Properties

Compound Namecarbanide;2-(2,3-dihydrocarbazol-9-yl)-6-[2-[[2-[[2-[3-(2,3-dihydrocarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]azanide;hafnium(4+);zirconium(2+)
PubChem CID161097934
Molecular FormulaC92H112HfN4O4Zr
Molecular Weight1607.65 g/mol
Exact Mass1606.72
IUPAC Namecarbanide;2-(2,3-dihydrocarbazol-9-yl)-6-[2-[[2-[[2-[3-(2,3-dihydrocarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]azanide;hafnium(4+);zirconium(2+)
SMILESC/C(=N\c1c(C(C)C)cccc1C(C)C)C(C)(C)[N-]c1c(C(C)C)cccc1C(C)C.Cc1cc(-c2ccccc2OCC2CCCCC2COc2ccccc2-c2cc(C)cc(-n3c4c(c5ccccc53)=CCCC=4)c2O)c(O)c(-n2c3c(c4ccccc42)=CCCC=3)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf+4].[Zr+2]
InChIInChI=1S/C58H54N2O4.C29H43N2.5CH3.Hf.Zr/c1-37-31-47(57(61)53(33-37)59-49-25-11-5-19-41(49)42-20-6-12-26-50(42)59)45-23-9-15-29-55(45)63-35-39-17-3-4-18-40(39)36-64-56-30-16-10-24-46(56)48-32-38(2)34-54(58(48)62)60-51-27-13-7-21-43(51)44-22-8-14-28-52(44)60;1-18(2)23-14-12-15-24(19(3)4)27(23)30-22(9)29(10,11)31-28-25(20(5)6)16-13-17-26(28)21(7)8;;;;;;;/h5,7,9-11,13,15-16,19-34,39-40,61-62H,3-4,6,8,12,14,17-18,35-36H2,1-2H3;12-21H,1-11H3;5*1H3;;/q;6*-1;+4;+2/b;30-22+;;;;;;;
InChIKeyLHPRYSLPCXWHEW-IUJMCBHRSA-N
XLogP22.91
TPSA95.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001607.65
LogP ≤ 522.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze carbanide;2-(2,3-dihydrocarbazol-9-yl)-6-[2-[[2-[[2-[3-(2,3-dihydrocarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]azanide;hafnium(4+);zirconium(2+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbanide;2-(2,3-dihydrocarbazol-9-yl)-6-[2-[[2-[[2-[3-(2,3-dihydrocarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]azanide;hafnium(4+);zirconium(2+)?
The IUPAC name of carbanide;2-(2,3-dihydrocarbazol-9-yl)-6-[2-[[2-[[2-[3-(2,3-dihydrocarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]azanide;hafnium(4+);zirconium(2+) (CID 161097934) is carbanide;2-(2,3-dihydrocarbazol-9-yl)-6-[2-[[2-[[2-[3-(2,3-dihydrocarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]azanide;hafnium(4+);zirconium(2+).
What is the SMILES notation for carbanide;2-(2,3-dihydrocarbazol-9-yl)-6-[2-[[2-[[2-[3-(2,3-dihydrocarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]azanide;hafnium(4+);zirconium(2+)?
The canonical SMILES for carbanide;2-(2,3-dihydrocarbazol-9-yl)-6-[2-[[2-[[2-[3-(2,3-dihydrocarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]azanide;hafnium(4+);zirconium(2+) is C/C(=N\c1c(C(C)C)cccc1C(C)C)C(C)(C)[N-]c1c(C(C)C)cccc1C(C)C.Cc1cc(-c2ccccc2OCC2CCCCC2COc2ccccc2-c2cc(C)cc(-n3c4c(c5ccccc53)=CCCC=4)c2O)c(O)c(-n2c3c(c4ccccc42)=CCCC=3)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf+4].[Zr+2].
What is the InChIKey of carbanide;2-(2,3-dihydrocarbazol-9-yl)-6-[2-[[2-[[2-[3-(2,3-dihydrocarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]azanide;hafnium(4+);zirconium(2+)?
The InChIKey is LHPRYSLPCXWHEW-IUJMCBHRSA-N. The full InChI is InChI=1S/C58H54N2O4.C29H43N2.5CH3.Hf.Zr/c1-37-31-47(57(61)53(33-37)59-49-25-11-5-19-41(49)42-20-6-12-26-50(42)59)45-23-9-15-29-55(45)63-35-39-17-3-4-18-40(39)36-64-56-30-16-10-24-46(56)48-32-38(2)34-54(58(48)62)60-51-27-13-7-21-43(51)44-22-8-14-28-52(44)60;1-18(2)23-14-12-15-24(19(3)4)27(23)30-22(9)29(10,11)31-28-25(20(5)6)16-13-17-26(28)21(7)8;;;;;;;/h5,7,9-11,13,15-16,19-34,39-40,61-62H,3-4,6,8,12,14,17-18,35-36H2,1-2H3;12-21H,1-11H3;5*1H3;;/q;6*-1;+4;+2/b;30-22+;;;;;;;.
What are the key properties of carbanide;2-(2,3-dihydrocarbazol-9-yl)-6-[2-[[2-[[2-[3-(2,3-dihydrocarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]azanide;hafnium(4+);zirconium(2+)?
carbanide;2-(2,3-dihydrocarbazol-9-yl)-6-[2-[[2-[[2-[3-(2,3-dihydrocarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]azanide;hafnium(4+);zirconium(2+) has a molecular weight of 1607.65 g/mol, XLogP of 22.91, 18 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-(2,3-dihydrocarbazol-9-yl)-6-[2-[[2-[[2-[3-(2,3-dihydrocarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]azanide;hafnium(4+);zirconium(2+) is sourced from PubChem (CID 161097934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).