bis(2-carbazol-9-yl-6-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methylphenol);2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-6-[2,6-di(propan-2-yl)phenyl]-4-methylphenol;bis(2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methyl-6-naphthalen-1-ylphenol);tris(hafnium(4+));methanidylbenzene;bis(zirconium(4+))

C291H297Hf3N17O10Zr2+10 — CID 158035674

IUPACbis(2-carbazol-9-yl-6-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methylphenol);2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-6-[2,6-di(propan-2-yl)phenyl]-4-methylphenol;bis(2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methyl-6-naphthalen-1-ylphenol);tris(hafnium(4+));methanidylbenzene;bis(zirconium(4+))
SMILESCc1cc(CCN(CCN(C)C)Cc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-c2c(C(C)C)cccc2C(C)C)c1.Cc1cc(CCN(CCN(C)C)Cc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-c2cccc3ccccc23)c1.Cc1cc(CCN(CCN(C)C)Cc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-c2cccc3ccccc23)c1.Cc1cc(CCN(CCN(C)C)Cc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.Cc1cc(CCN(CCN(C)C)Cc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Hf+4].[Hf+4].[Hf+4].[Zr+4].[Zr+4]
InChIInChI=1S/2C45H44N4O2.C45H53N3O2.2C43H43N3O2.10C7H7.3Hf.2Zr/c2*1-30-25-32(44(50)42(27-30)48-38-17-9-5-13-34(38)35-14-6-10-18-39(35)48)21-22-47(24-23-46(3)4)29-33-26-31(2)28-43(45(33)51)49-40-19-11-7-15-36(40)37-16-8-12-20-41(37)49;1-29(2)35-16-13-17-36(30(3)4)43(35)39-26-31(5)24-33(44(39)49)20-21-47(23-22-46(7)8)28-34-25-32(6)27-42(45(34)50)48-40-18-11-9-14-37(40)38-15-10-12-19-41(38)48;2*1-29-24-32(42(47)38(26-29)35-17-11-13-31-12-5-6-14-34(31)35)20-21-45(23-22-44(3)4)28-33-25-30(2)27-41(43(33)48)46-39-18-9-7-15-36(39)37-16-8-10-19-40(37)46;10*1-7-5-3-2-4-6-7;;;;;/h2*5-20,25-28,50-51H,21-24,29H2,1-4H3;9-19,24-27,29-30,49-50H,20-23,28H2,1-8H3;2*5-19,24-27,47-48H,20-23,28H2,1-4H3;10*2-6H,1H2;;;;;/q;;;;;10*-1;5*+4
InChIKeyUMMOMNDJBGOVBV-UHFFFAOYSA-N
MW4910.60 g/mol
LogP66.51
Rot. Bonds52

About bis(2-carbazol-9-yl-6-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methylphenol);2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-6-[2,6-di(propan-2-yl)phenyl]-4-methylphenol;bis(2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methyl-6-naphthalen-1-ylphenol);tris(hafnium(4+));methanidylbenzene;bis(zirconium(4+))

bis(2-carbazol-9-yl-6-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methylphenol);2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-6-[2,6-di(propan-2-yl)phenyl]-4-methylphenol;bis(2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methyl-6-naphthalen-1-ylphenol);tris(hafnium(4+));methanidylbenzene;bis(zirconium(4+)) (PubChem CID 158035674) has the molecular formula C291H297Hf3N17O10Zr2+10 and a molecular weight of 4910.60 g/mol. Its IUPAC name is bis(2-carbazol-9-yl-6-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methylphenol);2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-6-[2,6-di(propan-2-yl)phenyl]-4-methylphenol;bis(2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methyl-6-naphthalen-1-ylphenol);tris(hafnium(4+));methanidylbenzene;bis(zirconium(4+)).

Molecular Properties

Compound Namebis(2-carbazol-9-yl-6-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methylphenol);2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-6-[2,6-di(propan-2-yl)phenyl]-4-methylphenol;bis(2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methyl-6-naphthalen-1-ylphenol);tris(hafnium(4+));methanidylbenzene;bis(zirconium(4+))
PubChem CID158035674
Molecular FormulaC291H297Hf3N17O10Zr2+10
Molecular Weight4910.60 g/mol
Exact Mass4908.97
IUPAC Namebis(2-carbazol-9-yl-6-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methylphenol);2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-6-[2,6-di(propan-2-yl)phenyl]-4-methylphenol;bis(2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methyl-6-naphthalen-1-ylphenol);tris(hafnium(4+));methanidylbenzene;bis(zirconium(4+))
SMILESCc1cc(CCN(CCN(C)C)Cc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-c2c(C(C)C)cccc2C(C)C)c1.Cc1cc(CCN(CCN(C)C)Cc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-c2cccc3ccccc23)c1.Cc1cc(CCN(CCN(C)C)Cc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-c2cccc3ccccc23)c1.Cc1cc(CCN(CCN(C)C)Cc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.Cc1cc(CCN(CCN(C)C)Cc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Hf+4].[Hf+4].[Hf+4].[Zr+4].[Zr+4]
InChIInChI=1S/2C45H44N4O2.C45H53N3O2.2C43H43N3O2.10C7H7.3Hf.2Zr/c2*1-30-25-32(44(50)42(27-30)48-38-17-9-5-13-34(38)35-14-6-10-18-39(35)48)21-22-47(24-23-46(3)4)29-33-26-31(2)28-43(45(33)51)49-40-19-11-7-15-36(40)37-16-8-12-20-41(37)49;1-29(2)35-16-13-17-36(30(3)4)43(35)39-26-31(5)24-33(44(39)49)20-21-47(23-22-46(7)8)28-34-25-32(6)27-42(45(34)50)48-40-18-11-9-14-37(40)38-15-10-12-19-41(38)48;2*1-29-24-32(42(47)38(26-29)35-17-11-13-31-12-5-6-14-34(31)35)20-21-45(23-22-44(3)4)28-33-25-30(2)27-41(43(33)48)46-39-18-9-7-15-36(39)37-16-8-10-19-40(37)46;10*1-7-5-3-2-4-6-7;;;;;/h2*5-20,25-28,50-51H,21-24,29H2,1-4H3;9-19,24-27,29-30,49-50H,20-23,28H2,1-8H3;2*5-19,24-27,47-48H,20-23,28H2,1-4H3;10*2-6H,1H2;;;;;/q;;;;;10*-1;5*+4
InChIKeyUMMOMNDJBGOVBV-UHFFFAOYSA-N
XLogP66.51
TPSA269.21 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds52
Heavy Atoms323
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004910.60
LogP ≤ 566.51
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Analyze bis(2-carbazol-9-yl-6-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methylphenol);2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-6-[2,6-di(propan-2-yl)phenyl]-4-methylphenol;bis(2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methyl-6-naphthalen-1-ylphenol);tris(hafnium(4+));methanidylbenzene;bis(zirconium(4+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2-carbazol-9-yl-6-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methylphenol);2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-6-[2,6-di(propan-2-yl)phenyl]-4-methylphenol;bis(2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methyl-6-naphthalen-1-ylphenol);tris(hafnium(4+));methanidylbenzene;bis(zirconium(4+))?
The IUPAC name of bis(2-carbazol-9-yl-6-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methylphenol);2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-6-[2,6-di(propan-2-yl)phenyl]-4-methylphenol;bis(2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methyl-6-naphthalen-1-ylphenol);tris(hafnium(4+));methanidylbenzene;bis(zirconium(4+)) (CID 158035674) is bis(2-carbazol-9-yl-6-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methylphenol);2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-6-[2,6-di(propan-2-yl)phenyl]-4-methylphenol;bis(2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methyl-6-naphthalen-1-ylphenol);tris(hafnium(4+));methanidylbenzene;bis(zirconium(4+)).
What is the SMILES notation for bis(2-carbazol-9-yl-6-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methylphenol);2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-6-[2,6-di(propan-2-yl)phenyl]-4-methylphenol;bis(2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methyl-6-naphthalen-1-ylphenol);tris(hafnium(4+));methanidylbenzene;bis(zirconium(4+))?
The canonical SMILES for bis(2-carbazol-9-yl-6-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methylphenol);2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-6-[2,6-di(propan-2-yl)phenyl]-4-methylphenol;bis(2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methyl-6-naphthalen-1-ylphenol);tris(hafnium(4+));methanidylbenzene;bis(zirconium(4+)) is Cc1cc(CCN(CCN(C)C)Cc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-c2c(C(C)C)cccc2C(C)C)c1.Cc1cc(CCN(CCN(C)C)Cc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-c2cccc3ccccc23)c1.Cc1cc(CCN(CCN(C)C)Cc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-c2cccc3ccccc23)c1.Cc1cc(CCN(CCN(C)C)Cc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.Cc1cc(CCN(CCN(C)C)Cc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Hf+4].[Hf+4].[Hf+4].[Zr+4].[Zr+4].
What is the InChIKey of bis(2-carbazol-9-yl-6-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methylphenol);2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-6-[2,6-di(propan-2-yl)phenyl]-4-methylphenol;bis(2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methyl-6-naphthalen-1-ylphenol);tris(hafnium(4+));methanidylbenzene;bis(zirconium(4+))?
The InChIKey is UMMOMNDJBGOVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C45H44N4O2.C45H53N3O2.2C43H43N3O2.10C7H7.3Hf.2Zr/c2*1-30-25-32(44(50)42(27-30)48-38-17-9-5-13-34(38)35-14-6-10-18-39(35)48)21-22-47(24-23-46(3)4)29-33-26-31(2)28-43(45(33)51)49-40-19-11-7-15-36(40)37-16-8-12-20-41(37)49;1-29(2)35-16-13-17-36(30(3)4)43(35)39-26-31(5)24-33(44(39)49)20-21-47(23-22-46(7)8)28-34-25-32(6)27-42(45(34)50)48-40-18-11-9-14-37(40)38-15-10-12-19-41(38)48;2*1-29-24-32(42(47)38(26-29)35-17-11-13-31-12-5-6-14-34(31)35)20-21-45(23-22-44(3)4)28-33-25-30(2)27-41(43(33)48)46-39-18-9-7-15-36(39)37-16-8-10-19-40(37)46;10*1-7-5-3-2-4-6-7;;;;;/h2*5-20,25-28,50-51H,21-24,29H2,1-4H3;9-19,24-27,29-30,49-50H,20-23,28H2,1-8H3;2*5-19,24-27,47-48H,20-23,28H2,1-4H3;10*2-6H,1H2;;;;;/q;;;;;10*-1;5*+4.
What are the key properties of bis(2-carbazol-9-yl-6-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methylphenol);2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-6-[2,6-di(propan-2-yl)phenyl]-4-methylphenol;bis(2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methyl-6-naphthalen-1-ylphenol);tris(hafnium(4+));methanidylbenzene;bis(zirconium(4+))?
bis(2-carbazol-9-yl-6-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methylphenol);2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-6-[2,6-di(propan-2-yl)phenyl]-4-methylphenol;bis(2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methyl-6-naphthalen-1-ylphenol);tris(hafnium(4+));methanidylbenzene;bis(zirconium(4+)) has a molecular weight of 4910.60 g/mol, XLogP of 66.51, 52 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-carbazol-9-yl-6-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methylphenol);2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-6-[2,6-di(propan-2-yl)phenyl]-4-methylphenol;bis(2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methyl-6-naphthalen-1-ylphenol);tris(hafnium(4+));methanidylbenzene;bis(zirconium(4+)) is sourced from PubChem (CID 158035674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).