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

C282H327Hf3N11O10Zr2+10 — CID 159073871

IUPAC2-carbazol-9-yl-6-[2-[2-(dimethylamino)ethyl-[[2-hydroxy-5-methyl-3-(2-methylnaphthalen-1-yl)phenyl]methyl]amino]ethyl]-4-methylphenol;bis(2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-6-(2,6-dimethylphenyl)-4-methylphenol);bis(2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-4-methyl-6-naphthalen-1-ylphenol);tris(hafnium(4+));methanidylbenzene;bis(zirconium(4+))
SMILESCc1cc(CCN(CCN(C)C)Cc2cc(C)cc(-c3c(C(C)C)cccc3C(C)C)c2O)c(O)c(-c2c(C)cccc2C)c1.Cc1cc(CCN(CCN(C)C)Cc2cc(C)cc(-c3c(C(C)C)cccc3C(C)C)c2O)c(O)c(-c2c(C)cccc2C)c1.Cc1cc(CN(CCc2cc(C)cc(-c3cccc4ccccc34)c2O)CCN(C)C)c(O)c(-c2c(C(C)C)cccc2C(C)C)c1.Cc1cc(CN(CCc2cc(C)cc(-c3cccc4ccccc34)c2O)CCN(C)C)c(O)c(-c2c(C(C)C)cccc2C(C)C)c1.Cc1cc(CN(CCc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)CCN(C)C)c(O)c(-c2c(C)ccc3ccccc23)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/C44H45N3O2.2C43H52N2O2.2C41H54N2O2.10C7H7.3Hf.2Zr/c1-29-25-34(43(48)38(26-29)42-31(3)18-19-32-12-6-7-13-35(32)42)28-46(23-22-45(4)5)21-20-33-24-30(2)27-41(44(33)49)47-39-16-10-8-14-36(39)37-15-9-11-17-40(37)47;2*1-28(2)35-16-12-17-36(29(3)4)41(35)40-26-31(6)24-34(43(40)47)27-45(22-21-44(7)8)20-19-33-23-30(5)25-39(42(33)46)38-18-11-14-32-13-9-10-15-37(32)38;2*1-26(2)34-15-12-16-35(27(3)4)39(34)37-24-29(6)22-33(41(37)45)25-43(20-19-42(9)10)18-17-32-21-28(5)23-36(40(32)44)38-30(7)13-11-14-31(38)8;10*1-7-5-3-2-4-6-7;;;;;/h6-19,24-27,48-49H,20-23,28H2,1-5H3;2*9-18,23-26,28-29,46-47H,19-22,27H2,1-8H3;2*11-16,21-24,26-27,44-45H,17-20,25H2,1-10H3;10*2-6H,1H2;;;;;/q;;;;;10*-1;5*+4
InChIKeyBGSRUZQWTKVAAG-UHFFFAOYSA-N
MW4748.70 g/mol
LogP67.37
Rot. Bonds58

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

2-carbazol-9-yl-6-[2-[2-(dimethylamino)ethyl-[[2-hydroxy-5-methyl-3-(2-methylnaphthalen-1-yl)phenyl]methyl]amino]ethyl]-4-methylphenol;bis(2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-6-(2,6-dimethylphenyl)-4-methylphenol);bis(2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-4-methyl-6-naphthalen-1-ylphenol);tris(hafnium(4+));methanidylbenzene;bis(zirconium(4+)) (PubChem CID 159073871) has the molecular formula C282H327Hf3N11O10Zr2+10 and a molecular weight of 4748.70 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-[2-[2-(dimethylamino)ethyl-[[2-hydroxy-5-methyl-3-(2-methylnaphthalen-1-yl)phenyl]methyl]amino]ethyl]-4-methylphenol;bis(2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-6-(2,6-dimethylphenyl)-4-methylphenol);bis(2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-4-methyl-6-naphthalen-1-ylphenol);tris(hafnium(4+));methanidylbenzene;bis(zirconium(4+)).

Molecular Properties

Compound Name2-carbazol-9-yl-6-[2-[2-(dimethylamino)ethyl-[[2-hydroxy-5-methyl-3-(2-methylnaphthalen-1-yl)phenyl]methyl]amino]ethyl]-4-methylphenol;bis(2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-6-(2,6-dimethylphenyl)-4-methylphenol);bis(2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-4-methyl-6-naphthalen-1-ylphenol);tris(hafnium(4+));methanidylbenzene;bis(zirconium(4+))
PubChem CID159073871
Molecular FormulaC282H327Hf3N11O10Zr2+10
Molecular Weight4748.70 g/mol
Exact Mass4747.19
IUPAC Name2-carbazol-9-yl-6-[2-[2-(dimethylamino)ethyl-[[2-hydroxy-5-methyl-3-(2-methylnaphthalen-1-yl)phenyl]methyl]amino]ethyl]-4-methylphenol;bis(2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-6-(2,6-dimethylphenyl)-4-methylphenol);bis(2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-4-methyl-6-naphthalen-1-ylphenol);tris(hafnium(4+));methanidylbenzene;bis(zirconium(4+))
SMILESCc1cc(CCN(CCN(C)C)Cc2cc(C)cc(-c3c(C(C)C)cccc3C(C)C)c2O)c(O)c(-c2c(C)cccc2C)c1.Cc1cc(CCN(CCN(C)C)Cc2cc(C)cc(-c3c(C(C)C)cccc3C(C)C)c2O)c(O)c(-c2c(C)cccc2C)c1.Cc1cc(CN(CCc2cc(C)cc(-c3cccc4ccccc34)c2O)CCN(C)C)c(O)c(-c2c(C(C)C)cccc2C(C)C)c1.Cc1cc(CN(CCc2cc(C)cc(-c3cccc4ccccc34)c2O)CCN(C)C)c(O)c(-c2c(C(C)C)cccc2C(C)C)c1.Cc1cc(CN(CCc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)CCN(C)C)c(O)c(-c2c(C)ccc3ccccc23)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/C44H45N3O2.2C43H52N2O2.2C41H54N2O2.10C7H7.3Hf.2Zr/c1-29-25-34(43(48)38(26-29)42-31(3)18-19-32-12-6-7-13-35(32)42)28-46(23-22-45(4)5)21-20-33-24-30(2)27-41(44(33)49)47-39-16-10-8-14-36(39)37-15-9-11-17-40(37)47;2*1-28(2)35-16-12-17-36(29(3)4)41(35)40-26-31(6)24-34(43(40)47)27-45(22-21-44(7)8)20-19-33-23-30(5)25-39(42(33)46)38-18-11-14-32-13-9-10-15-37(32)38;2*1-26(2)34-15-12-16-35(27(3)4)39(34)37-24-29(6)22-33(41(37)45)25-43(20-19-42(9)10)18-17-32-21-28(5)23-36(40(32)44)38-30(7)13-11-14-31(38)8;10*1-7-5-3-2-4-6-7;;;;;/h6-19,24-27,48-49H,20-23,28H2,1-5H3;2*9-18,23-26,28-29,46-47H,19-22,27H2,1-8H3;2*11-16,21-24,26-27,44-45H,17-20,25H2,1-10H3;10*2-6H,1H2;;;;;/q;;;;;10*-1;5*+4
InChIKeyBGSRUZQWTKVAAG-UHFFFAOYSA-N
XLogP67.37
TPSA239.63 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds58
Heavy Atoms308
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004748.70
LogP ≤ 567.37
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

Analyze 2-carbazol-9-yl-6-[2-[2-(dimethylamino)ethyl-[[2-hydroxy-5-methyl-3-(2-methylnaphthalen-1-yl)phenyl]methyl]amino]ethyl]-4-methylphenol;bis(2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-6-(2,6-dimethylphenyl)-4-methylphenol);bis(2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]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 2-carbazol-9-yl-6-[2-[2-(dimethylamino)ethyl-[[2-hydroxy-5-methyl-3-(2-methylnaphthalen-1-yl)phenyl]methyl]amino]ethyl]-4-methylphenol;bis(2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-6-(2,6-dimethylphenyl)-4-methylphenol);bis(2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-4-methyl-6-naphthalen-1-ylphenol);tris(hafnium(4+));methanidylbenzene;bis(zirconium(4+))?
The IUPAC name of 2-carbazol-9-yl-6-[2-[2-(dimethylamino)ethyl-[[2-hydroxy-5-methyl-3-(2-methylnaphthalen-1-yl)phenyl]methyl]amino]ethyl]-4-methylphenol;bis(2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-6-(2,6-dimethylphenyl)-4-methylphenol);bis(2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-4-methyl-6-naphthalen-1-ylphenol);tris(hafnium(4+));methanidylbenzene;bis(zirconium(4+)) (CID 159073871) is 2-carbazol-9-yl-6-[2-[2-(dimethylamino)ethyl-[[2-hydroxy-5-methyl-3-(2-methylnaphthalen-1-yl)phenyl]methyl]amino]ethyl]-4-methylphenol;bis(2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-6-(2,6-dimethylphenyl)-4-methylphenol);bis(2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-4-methyl-6-naphthalen-1-ylphenol);tris(hafnium(4+));methanidylbenzene;bis(zirconium(4+)).
What is the SMILES notation for 2-carbazol-9-yl-6-[2-[2-(dimethylamino)ethyl-[[2-hydroxy-5-methyl-3-(2-methylnaphthalen-1-yl)phenyl]methyl]amino]ethyl]-4-methylphenol;bis(2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-6-(2,6-dimethylphenyl)-4-methylphenol);bis(2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-4-methyl-6-naphthalen-1-ylphenol);tris(hafnium(4+));methanidylbenzene;bis(zirconium(4+))?
The canonical SMILES for 2-carbazol-9-yl-6-[2-[2-(dimethylamino)ethyl-[[2-hydroxy-5-methyl-3-(2-methylnaphthalen-1-yl)phenyl]methyl]amino]ethyl]-4-methylphenol;bis(2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-6-(2,6-dimethylphenyl)-4-methylphenol);bis(2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-4-methyl-6-naphthalen-1-ylphenol);tris(hafnium(4+));methanidylbenzene;bis(zirconium(4+)) is Cc1cc(CCN(CCN(C)C)Cc2cc(C)cc(-c3c(C(C)C)cccc3C(C)C)c2O)c(O)c(-c2c(C)cccc2C)c1.Cc1cc(CCN(CCN(C)C)Cc2cc(C)cc(-c3c(C(C)C)cccc3C(C)C)c2O)c(O)c(-c2c(C)cccc2C)c1.Cc1cc(CN(CCc2cc(C)cc(-c3cccc4ccccc34)c2O)CCN(C)C)c(O)c(-c2c(C(C)C)cccc2C(C)C)c1.Cc1cc(CN(CCc2cc(C)cc(-c3cccc4ccccc34)c2O)CCN(C)C)c(O)c(-c2c(C(C)C)cccc2C(C)C)c1.Cc1cc(CN(CCc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)CCN(C)C)c(O)c(-c2c(C)ccc3ccccc23)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 2-carbazol-9-yl-6-[2-[2-(dimethylamino)ethyl-[[2-hydroxy-5-methyl-3-(2-methylnaphthalen-1-yl)phenyl]methyl]amino]ethyl]-4-methylphenol;bis(2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-6-(2,6-dimethylphenyl)-4-methylphenol);bis(2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-4-methyl-6-naphthalen-1-ylphenol);tris(hafnium(4+));methanidylbenzene;bis(zirconium(4+))?
The InChIKey is BGSRUZQWTKVAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H45N3O2.2C43H52N2O2.2C41H54N2O2.10C7H7.3Hf.2Zr/c1-29-25-34(43(48)38(26-29)42-31(3)18-19-32-12-6-7-13-35(32)42)28-46(23-22-45(4)5)21-20-33-24-30(2)27-41(44(33)49)47-39-16-10-8-14-36(39)37-15-9-11-17-40(37)47;2*1-28(2)35-16-12-17-36(29(3)4)41(35)40-26-31(6)24-34(43(40)47)27-45(22-21-44(7)8)20-19-33-23-30(5)25-39(42(33)46)38-18-11-14-32-13-9-10-15-37(32)38;2*1-26(2)34-15-12-16-35(27(3)4)39(34)37-24-29(6)22-33(41(37)45)25-43(20-19-42(9)10)18-17-32-21-28(5)23-36(40(32)44)38-30(7)13-11-14-31(38)8;10*1-7-5-3-2-4-6-7;;;;;/h6-19,24-27,48-49H,20-23,28H2,1-5H3;2*9-18,23-26,28-29,46-47H,19-22,27H2,1-8H3;2*11-16,21-24,26-27,44-45H,17-20,25H2,1-10H3;10*2-6H,1H2;;;;;/q;;;;;10*-1;5*+4.
What are the key properties of 2-carbazol-9-yl-6-[2-[2-(dimethylamino)ethyl-[[2-hydroxy-5-methyl-3-(2-methylnaphthalen-1-yl)phenyl]methyl]amino]ethyl]-4-methylphenol;bis(2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-6-(2,6-dimethylphenyl)-4-methylphenol);bis(2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-4-methyl-6-naphthalen-1-ylphenol);tris(hafnium(4+));methanidylbenzene;bis(zirconium(4+))?
2-carbazol-9-yl-6-[2-[2-(dimethylamino)ethyl-[[2-hydroxy-5-methyl-3-(2-methylnaphthalen-1-yl)phenyl]methyl]amino]ethyl]-4-methylphenol;bis(2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-6-(2,6-dimethylphenyl)-4-methylphenol);bis(2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-4-methyl-6-naphthalen-1-ylphenol);tris(hafnium(4+));methanidylbenzene;bis(zirconium(4+)) has a molecular weight of 4748.70 g/mol, XLogP of 67.37, 58 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-6-[2-[2-(dimethylamino)ethyl-[[2-hydroxy-5-methyl-3-(2-methylnaphthalen-1-yl)phenyl]methyl]amino]ethyl]-4-methylphenol;bis(2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-6-(2,6-dimethylphenyl)-4-methylphenol);bis(2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-4-methyl-6-naphthalen-1-ylphenol);tris(hafnium(4+));methanidylbenzene;bis(zirconium(4+)) is sourced from PubChem (CID 159073871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).