[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenyl]-[[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenyl]oxoniomethyl]cyclohexyl]methyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniocyclohexyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[[6-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniomethyl]cyclohex-3-en-1-yl]methyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniopropyl]oxidanium;ethane;zirconium

C235H218N8O16Zr4+4 — CID 159561055

IUPAC[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenyl]-[[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenyl]oxoniomethyl]cyclohexyl]methyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniocyclohexyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[[6-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniomethyl]cyclohex-3-en-1-yl]methyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniopropyl]oxidanium;ethane;zirconium
SMILESCc1cc(-c2ccccc2[OH+]C2CCCC([OH+]c3ccccc3-c3cc(C)cc(-n4c5ccccc5c5ccccc54)c3O)C2)c(O)c(-n2c3ccccc3c3ccccc32)c1.Cc1cc(-c2ccccc2[OH+]CC2CC=CCC2C[OH+]c2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.Cc1cc(-c2ccccc2[OH+]CCC[OH+]c2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.Cc1ccc([OH+]CC2CCCCC2C[OH+]c2ccc(C)cc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c1.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[Zr].[Zr].[Zr].[Zr]
InChIInChI=1S/C60H54N2O4.C58H48N2O4.C56H46N2O4.C53H42N2O4.4C2H5.4Zr/c1-37-25-27-57(47(29-37)49-31-39(3)33-55(59(49)63)61-51-21-11-7-17-43(51)44-18-8-12-22-52(44)61)65-35-41-15-5-6-16-42(41)36-66-58-28-26-38(2)30-48(58)50-32-40(4)34-56(60(50)64)62-53-23-13-9-19-45(53)46-20-10-14-24-54(46)62;1-37-31-47(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;1-35-30-45(55(59)51(32-35)57-47-24-9-3-18-39(47)40-19-4-10-25-48(40)57)43-22-7-13-28-53(43)61-37-16-15-17-38(34-37)62-54-29-14-8-23-44(54)46-31-36(2)33-52(56(46)60)58-49-26-11-5-20-41(49)42-21-6-12-27-50(42)58;1-34-30-42(52(56)48(32-34)54-44-22-9-3-16-36(44)37-17-4-10-23-45(37)54)40-20-7-13-26-50(40)58-28-15-29-59-51-27-14-8-21-41(51)43-31-35(2)33-49(53(43)57)55-46-24-11-5-18-38(46)39-19-6-12-25-47(39)55;4*1-2;;;;/h7-14,17-34,41-42,63-64H,5-6,15-16,35-36H2,1-4H3;3-16,19-34,39-40,61-62H,17-18,35-36H2,1-2H3;3-14,18-33,37-38,59-60H,15-17,34H2,1-2H3;3-14,16-27,30-33,56-57H,15,28-29H2,1-2H3;4*1H2,2H3;;;;/q;;;;4*-1;;;;/p+8
InChIKeyQMBGPHCUILVOAT-UHFFFAOYSA-V
MW3775.26 g/mol
LogP58.76
Rot. Bonds38

About [2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenyl]-[[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenyl]oxoniomethyl]cyclohexyl]methyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniocyclohexyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[[6-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniomethyl]cyclohex-3-en-1-yl]methyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniopropyl]oxidanium;ethane;zirconium

[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenyl]-[[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenyl]oxoniomethyl]cyclohexyl]methyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniocyclohexyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[[6-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniomethyl]cyclohex-3-en-1-yl]methyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniopropyl]oxidanium;ethane;zirconium (PubChem CID 159561055) has the molecular formula C235H218N8O16Zr4+4 and a molecular weight of 3775.26 g/mol. Its IUPAC name is [2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenyl]-[[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenyl]oxoniomethyl]cyclohexyl]methyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniocyclohexyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[[6-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniomethyl]cyclohex-3-en-1-yl]methyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniopropyl]oxidanium;ethane;zirconium.

Molecular Properties

Compound Name[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenyl]-[[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenyl]oxoniomethyl]cyclohexyl]methyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniocyclohexyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[[6-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniomethyl]cyclohex-3-en-1-yl]methyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniopropyl]oxidanium;ethane;zirconium
PubChem CID159561055
Molecular FormulaC235H218N8O16Zr4+4
Molecular Weight3775.26 g/mol
Exact Mass3767.27
IUPAC Name[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenyl]-[[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenyl]oxoniomethyl]cyclohexyl]methyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniocyclohexyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[[6-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniomethyl]cyclohex-3-en-1-yl]methyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniopropyl]oxidanium;ethane;zirconium
SMILESCc1cc(-c2ccccc2[OH+]C2CCCC([OH+]c3ccccc3-c3cc(C)cc(-n4c5ccccc5c5ccccc54)c3O)C2)c(O)c(-n2c3ccccc3c3ccccc32)c1.Cc1cc(-c2ccccc2[OH+]CC2CC=CCC2C[OH+]c2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.Cc1cc(-c2ccccc2[OH+]CCC[OH+]c2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.Cc1ccc([OH+]CC2CCCCC2C[OH+]c2ccc(C)cc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c1.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[Zr].[Zr].[Zr].[Zr]
InChIInChI=1S/C60H54N2O4.C58H48N2O4.C56H46N2O4.C53H42N2O4.4C2H5.4Zr/c1-37-25-27-57(47(29-37)49-31-39(3)33-55(59(49)63)61-51-21-11-7-17-43(51)44-18-8-12-22-52(44)61)65-35-41-15-5-6-16-42(41)36-66-58-28-26-38(2)30-48(58)50-32-40(4)34-56(60(50)64)62-53-23-13-9-19-45(53)46-20-10-14-24-54(46)62;1-37-31-47(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;1-35-30-45(55(59)51(32-35)57-47-24-9-3-18-39(47)40-19-4-10-25-48(40)57)43-22-7-13-28-53(43)61-37-16-15-17-38(34-37)62-54-29-14-8-23-44(54)46-31-36(2)33-52(56(46)60)58-49-26-11-5-20-41(49)42-21-6-12-27-50(42)58;1-34-30-42(52(56)48(32-34)54-44-22-9-3-16-36(44)37-17-4-10-23-45(37)54)40-20-7-13-26-50(40)58-28-15-29-59-51-27-14-8-21-41(51)43-31-35(2)33-49(53(43)57)55-46-24-11-5-18-38(46)39-19-6-12-25-47(39)55;4*1-2;;;;/h7-14,17-34,41-42,63-64H,5-6,15-16,35-36H2,1-4H3;3-16,19-34,39-40,61-62H,17-18,35-36H2,1-2H3;3-14,18-33,37-38,59-60H,15-17,34H2,1-2H3;3-14,16-27,30-33,56-57H,15,28-29H2,1-2H3;4*1H2,2H3;;;;/q;;;;4*-1;;;;/p+8
InChIKeyQMBGPHCUILVOAT-UHFFFAOYSA-V
XLogP58.76
TPSA303.68 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds38
Heavy Atoms263
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003775.26
LogP ≤ 558.76
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze [2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenyl]-[[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenyl]oxoniomethyl]cyclohexyl]methyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniocyclohexyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[[6-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniomethyl]cyclohex-3-en-1-yl]methyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniopropyl]oxidanium;ethane;zirconium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenyl]-[[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenyl]oxoniomethyl]cyclohexyl]methyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniocyclohexyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[[6-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniomethyl]cyclohex-3-en-1-yl]methyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniopropyl]oxidanium;ethane;zirconium?
The IUPAC name of [2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenyl]-[[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenyl]oxoniomethyl]cyclohexyl]methyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniocyclohexyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[[6-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniomethyl]cyclohex-3-en-1-yl]methyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniopropyl]oxidanium;ethane;zirconium (CID 159561055) is [2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenyl]-[[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenyl]oxoniomethyl]cyclohexyl]methyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniocyclohexyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[[6-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniomethyl]cyclohex-3-en-1-yl]methyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniopropyl]oxidanium;ethane;zirconium.
What is the SMILES notation for [2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenyl]-[[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenyl]oxoniomethyl]cyclohexyl]methyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniocyclohexyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[[6-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniomethyl]cyclohex-3-en-1-yl]methyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniopropyl]oxidanium;ethane;zirconium?
The canonical SMILES for [2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenyl]-[[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenyl]oxoniomethyl]cyclohexyl]methyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniocyclohexyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[[6-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniomethyl]cyclohex-3-en-1-yl]methyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniopropyl]oxidanium;ethane;zirconium is Cc1cc(-c2ccccc2[OH+]C2CCCC([OH+]c3ccccc3-c3cc(C)cc(-n4c5ccccc5c5ccccc54)c3O)C2)c(O)c(-n2c3ccccc3c3ccccc32)c1.Cc1cc(-c2ccccc2[OH+]CC2CC=CCC2C[OH+]c2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.Cc1cc(-c2ccccc2[OH+]CCC[OH+]c2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.Cc1ccc([OH+]CC2CCCCC2C[OH+]c2ccc(C)cc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c1.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[Zr].[Zr].[Zr].[Zr].
What is the InChIKey of [2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenyl]-[[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenyl]oxoniomethyl]cyclohexyl]methyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniocyclohexyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[[6-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniomethyl]cyclohex-3-en-1-yl]methyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniopropyl]oxidanium;ethane;zirconium?
The InChIKey is QMBGPHCUILVOAT-UHFFFAOYSA-V. The full InChI is InChI=1S/C60H54N2O4.C58H48N2O4.C56H46N2O4.C53H42N2O4.4C2H5.4Zr/c1-37-25-27-57(47(29-37)49-31-39(3)33-55(59(49)63)61-51-21-11-7-17-43(51)44-18-8-12-22-52(44)61)65-35-41-15-5-6-16-42(41)36-66-58-28-26-38(2)30-48(58)50-32-40(4)34-56(60(50)64)62-53-23-13-9-19-45(53)46-20-10-14-24-54(46)62;1-37-31-47(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;1-35-30-45(55(59)51(32-35)57-47-24-9-3-18-39(47)40-19-4-10-25-48(40)57)43-22-7-13-28-53(43)61-37-16-15-17-38(34-37)62-54-29-14-8-23-44(54)46-31-36(2)33-52(56(46)60)58-49-26-11-5-20-41(49)42-21-6-12-27-50(42)58;1-34-30-42(52(56)48(32-34)54-44-22-9-3-16-36(44)37-17-4-10-23-45(37)54)40-20-7-13-26-50(40)58-28-15-29-59-51-27-14-8-21-41(51)43-31-35(2)33-49(53(43)57)55-46-24-11-5-18-38(46)39-19-6-12-25-47(39)55;4*1-2;;;;/h7-14,17-34,41-42,63-64H,5-6,15-16,35-36H2,1-4H3;3-16,19-34,39-40,61-62H,17-18,35-36H2,1-2H3;3-14,18-33,37-38,59-60H,15-17,34H2,1-2H3;3-14,16-27,30-33,56-57H,15,28-29H2,1-2H3;4*1H2,2H3;;;;/q;;;;4*-1;;;;/p+8.
What are the key properties of [2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenyl]-[[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenyl]oxoniomethyl]cyclohexyl]methyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniocyclohexyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[[6-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniomethyl]cyclohex-3-en-1-yl]methyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniopropyl]oxidanium;ethane;zirconium?
[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenyl]-[[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenyl]oxoniomethyl]cyclohexyl]methyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniocyclohexyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[[6-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniomethyl]cyclohex-3-en-1-yl]methyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniopropyl]oxidanium;ethane;zirconium has a molecular weight of 3775.26 g/mol, XLogP of 58.76, 38 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenyl]-[[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-methylphenyl]oxoniomethyl]cyclohexyl]methyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniocyclohexyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[[6-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniomethyl]cyclohex-3-en-1-yl]methyl]oxidanium;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniopropyl]oxidanium;ethane;zirconium is sourced from PubChem (CID 159561055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).