carbanide;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluoro-4-methylphenyl]-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluoro-4-methylphenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopropyl]oxidanium;hafnium

C325H400F10Hf4N8O16 — CID 162089678

IUPACcarbanide;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluoro-4-methylphenyl]-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluoro-4-methylphenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopropyl]oxidanium;hafnium
SMILESCC(C)(C)CC(C)(C)c1cc(-c2cc(F)ccc2[OH+]CCC[OH+]c2ccc(F)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)c(O)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1.Cc1cc(F)c([OH+]CCC[OH+]c2c(F)cc(C)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)c(-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)c1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(C(C)(C)CC(C)(C)C)cc(-c2cc(F)cc(C)c2[OH+]CCC[OH+]c2c(F)cc(F)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4ccc(C)cc4c4cc(C)ccc43)c2O)c1O.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(C(C)(C)CC(C)(C)C)cc(-c2cc(F)ccc2[OH+]CCC[OH+]c2c(F)cc(F)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)c1O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].[Hf].[Hf].[Hf]
InChIInChI=1S/C85H104F2N2O4.C83H100F2N2O4.C77H87F3N2O4.C72H77F3N2O4.8CH3.4Hf/c1-50-36-64(62-44-56(84(21,22)48-78(3,4)5)46-72(74(62)90)88-68-30-26-52(80(9,10)11)40-58(68)59-41-53(81(12,13)14)27-31-69(59)88)76(66(86)38-50)92-34-25-35-93-77-65(37-51(2)39-67(77)87)63-45-57(85(23,24)49-79(6,7)8)47-73(75(63)91)89-70-32-28-54(82(15,16)17)42-60(70)61-43-55(83(18,19)20)29-33-71(61)89;1-76(2,3)48-82(19,20)54-42-64(74(88)70(44-54)86-66-30-24-50(78(7,8)9)38-58(66)59-39-51(79(10,11)12)25-31-67(59)86)62-46-56(84)28-34-72(62)90-36-23-37-91-73-35-29-57(85)47-63(73)65-43-55(83(21,22)49-77(4,5)6)45-71(75(65)89)87-68-32-26-52(80(13,14)15)40-60(68)61-41-53(81(16,17)18)27-33-69(61)87;1-45-20-25-62-53(32-45)54-33-46(2)21-26-63(54)81(62)66-38-49(76(15,16)43-72(3,4)5)36-58(69(66)83)57-40-51(78)24-29-68(57)85-30-19-31-86-71-60(41-52(79)42-61(71)80)59-37-50(77(17,18)44-73(6,7)8)39-67(70(59)84)82-64-27-22-47(74(9,10)11)34-55(64)56-35-48(75(12,13)14)23-28-65(56)82;1-41-17-21-59-50(27-41)51-28-42(2)18-22-60(51)76(59)63-34-46(71(12,13)39-69(6,7)8)32-54(65(63)78)56-36-48(73)31-45(5)67(56)80-25-16-26-81-68-57(37-49(74)38-58(68)75)55-33-47(72(14,15)40-70(9,10)11)35-64(66(55)79)77-61-23-19-43(3)29-52(61)53-30-44(4)20-24-62(53)77;;;;;;;;;;;;/h26-33,36-47,90-91H,25,34-35,48-49H2,1-24H3;24-35,38-47,88-89H,23,36-37,48-49H2,1-22H3;20-29,32-42,83-84H,19,30-31,43-44H2,1-18H3;17-24,27-38,78-79H,16,25-26,39-40H2,1-15H3;8*1H3;;;;/q;;;;8*-1;;;;/p+8
InChIKeyLJSUYZCXJJARHZ-UHFFFAOYSA-V
MW5578.76 g/mol
LogP91.24
Rot. Bonds56

About carbanide;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluoro-4-methylphenyl]-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluoro-4-methylphenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopropyl]oxidanium;hafnium

carbanide;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluoro-4-methylphenyl]-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluoro-4-methylphenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopropyl]oxidanium;hafnium (PubChem CID 162089678) has the molecular formula C325H400F10Hf4N8O16 and a molecular weight of 5578.76 g/mol. Its IUPAC name is carbanide;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluoro-4-methylphenyl]-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluoro-4-methylphenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopropyl]oxidanium;hafnium.

Molecular Properties

Compound Namecarbanide;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluoro-4-methylphenyl]-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluoro-4-methylphenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopropyl]oxidanium;hafnium
PubChem CID162089678
Molecular FormulaC325H400F10Hf4N8O16
Molecular Weight5578.76 g/mol
Exact Mass5580.84
IUPAC Namecarbanide;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluoro-4-methylphenyl]-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluoro-4-methylphenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopropyl]oxidanium;hafnium
SMILESCC(C)(C)CC(C)(C)c1cc(-c2cc(F)ccc2[OH+]CCC[OH+]c2ccc(F)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)c(O)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1.Cc1cc(F)c([OH+]CCC[OH+]c2c(F)cc(C)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)c(-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)c1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(C(C)(C)CC(C)(C)C)cc(-c2cc(F)cc(C)c2[OH+]CCC[OH+]c2c(F)cc(F)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4ccc(C)cc4c4cc(C)ccc43)c2O)c1O.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(C(C)(C)CC(C)(C)C)cc(-c2cc(F)ccc2[OH+]CCC[OH+]c2c(F)cc(F)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)c1O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].[Hf].[Hf].[Hf]
InChIInChI=1S/C85H104F2N2O4.C83H100F2N2O4.C77H87F3N2O4.C72H77F3N2O4.8CH3.4Hf/c1-50-36-64(62-44-56(84(21,22)48-78(3,4)5)46-72(74(62)90)88-68-30-26-52(80(9,10)11)40-58(68)59-41-53(81(12,13)14)27-31-69(59)88)76(66(86)38-50)92-34-25-35-93-77-65(37-51(2)39-67(77)87)63-45-57(85(23,24)49-79(6,7)8)47-73(75(63)91)89-70-32-28-54(82(15,16)17)42-60(70)61-43-55(83(18,19)20)29-33-71(61)89;1-76(2,3)48-82(19,20)54-42-64(74(88)70(44-54)86-66-30-24-50(78(7,8)9)38-58(66)59-39-51(79(10,11)12)25-31-67(59)86)62-46-56(84)28-34-72(62)90-36-23-37-91-73-35-29-57(85)47-63(73)65-43-55(83(21,22)49-77(4,5)6)45-71(75(65)89)87-68-32-26-52(80(13,14)15)40-60(68)61-41-53(81(16,17)18)27-33-69(61)87;1-45-20-25-62-53(32-45)54-33-46(2)21-26-63(54)81(62)66-38-49(76(15,16)43-72(3,4)5)36-58(69(66)83)57-40-51(78)24-29-68(57)85-30-19-31-86-71-60(41-52(79)42-61(71)80)59-37-50(77(17,18)44-73(6,7)8)39-67(70(59)84)82-64-27-22-47(74(9,10)11)34-55(64)56-35-48(75(12,13)14)23-28-65(56)82;1-41-17-21-59-50(27-41)51-28-42(2)18-22-60(51)76(59)63-34-46(71(12,13)39-69(6,7)8)32-54(65(63)78)56-36-48(73)31-45(5)67(56)80-25-16-26-81-68-57(37-49(74)38-58(68)75)55-33-47(72(14,15)40-70(9,10)11)35-64(66(55)79)77-61-23-19-43(3)29-52(61)53-30-44(4)20-24-62(53)77;;;;;;;;;;;;/h26-33,36-47,90-91H,25,34-35,48-49H2,1-24H3;24-35,38-47,88-89H,23,36-37,48-49H2,1-22H3;20-29,32-42,83-84H,19,30-31,43-44H2,1-18H3;17-24,27-38,78-79H,16,25-26,39-40H2,1-15H3;8*1H3;;;;/q;;;;8*-1;;;;/p+8
InChIKeyLJSUYZCXJJARHZ-UHFFFAOYSA-V
XLogP91.24
TPSA303.68 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds56
Heavy Atoms363
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005578.76
LogP ≤ 591.24
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze carbanide;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluoro-4-methylphenyl]-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluoro-4-methylphenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopropyl]oxidanium;hafnium with MolForge

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Related Compounds

carbanide;2-(2,7-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;hafnium
CID 162006008
[2-bromo-6-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-bromo-6-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;carbanide;[2-[3-carbazol-9-yl-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-dichlorophenyl]-[3-[2-[3-carbazol-9-yl-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-chloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[2-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxonioethyl]oxidanium;[4-chloro-2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopropyl]oxidanium;hafnium
CID 159159083
carbanide;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[3-[[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]propyl]-methanidyloxidanium;hafnium
CID 140777343
[2-[3-(2-tert-butyl-7-methylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-ethyl-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;carbanide;zirconium
CID 159393537
carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[2-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]ethoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;zirconium(2+)
CID 140778892
2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[2-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]ethoxy]-5-fluoro-3-methylphenyl]-4-(2-methylbutan-2-yl)phenol
CID 157203006
carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[5-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]-3-methylpentoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;zirconium
CID 176623246
2-(2,7-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenoxy]propoxy]-3,5-difluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 121290068
2-(2,7-ditert-butylcarbazol-9-yl)-6-(5-fluoro-2-hydroxyphenyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 138987021
CID 154613201
CID 154613201
carbanide;2-[5-chloro-2-[3-[4-chloro-2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenoxy]propoxy]-3-methylphenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium
CID 58516577
carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium
CID 157167123

Frequently Asked Questions

What is the IUPAC name of carbanide;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluoro-4-methylphenyl]-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluoro-4-methylphenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopropyl]oxidanium;hafnium?
The IUPAC name of carbanide;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluoro-4-methylphenyl]-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluoro-4-methylphenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopropyl]oxidanium;hafnium (CID 162089678) is carbanide;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluoro-4-methylphenyl]-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluoro-4-methylphenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopropyl]oxidanium;hafnium.
What is the SMILES notation for carbanide;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluoro-4-methylphenyl]-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluoro-4-methylphenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopropyl]oxidanium;hafnium?
The canonical SMILES for carbanide;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluoro-4-methylphenyl]-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluoro-4-methylphenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopropyl]oxidanium;hafnium is CC(C)(C)CC(C)(C)c1cc(-c2cc(F)ccc2[OH+]CCC[OH+]c2ccc(F)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)c(O)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1.Cc1cc(F)c([OH+]CCC[OH+]c2c(F)cc(C)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)c(-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)c1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(C(C)(C)CC(C)(C)C)cc(-c2cc(F)cc(C)c2[OH+]CCC[OH+]c2c(F)cc(F)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4ccc(C)cc4c4cc(C)ccc43)c2O)c1O.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(C(C)(C)CC(C)(C)C)cc(-c2cc(F)ccc2[OH+]CCC[OH+]c2c(F)cc(F)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)c1O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].[Hf].[Hf].[Hf].
What is the InChIKey of carbanide;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluoro-4-methylphenyl]-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluoro-4-methylphenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopropyl]oxidanium;hafnium?
The InChIKey is LJSUYZCXJJARHZ-UHFFFAOYSA-V. The full InChI is InChI=1S/C85H104F2N2O4.C83H100F2N2O4.C77H87F3N2O4.C72H77F3N2O4.8CH3.4Hf/c1-50-36-64(62-44-56(84(21,22)48-78(3,4)5)46-72(74(62)90)88-68-30-26-52(80(9,10)11)40-58(68)59-41-53(81(12,13)14)27-31-69(59)88)76(66(86)38-50)92-34-25-35-93-77-65(37-51(2)39-67(77)87)63-45-57(85(23,24)49-79(6,7)8)47-73(75(63)91)89-70-32-28-54(82(15,16)17)42-60(70)61-43-55(83(18,19)20)29-33-71(61)89;1-76(2,3)48-82(19,20)54-42-64(74(88)70(44-54)86-66-30-24-50(78(7,8)9)38-58(66)59-39-51(79(10,11)12)25-31-67(59)86)62-46-56(84)28-34-72(62)90-36-23-37-91-73-35-29-57(85)47-63(73)65-43-55(83(21,22)49-77(4,5)6)45-71(75(65)89)87-68-32-26-52(80(13,14)15)40-60(68)61-41-53(81(16,17)18)27-33-69(61)87;1-45-20-25-62-53(32-45)54-33-46(2)21-26-63(54)81(62)66-38-49(76(15,16)43-72(3,4)5)36-58(69(66)83)57-40-51(78)24-29-68(57)85-30-19-31-86-71-60(41-52(79)42-61(71)80)59-37-50(77(17,18)44-73(6,7)8)39-67(70(59)84)82-64-27-22-47(74(9,10)11)34-55(64)56-35-48(75(12,13)14)23-28-65(56)82;1-41-17-21-59-50(27-41)51-28-42(2)18-22-60(51)76(59)63-34-46(71(12,13)39-69(6,7)8)32-54(65(63)78)56-36-48(73)31-45(5)67(56)80-25-16-26-81-68-57(37-49(74)38-58(68)75)55-33-47(72(14,15)40-70(9,10)11)35-64(66(55)79)77-61-23-19-43(3)29-52(61)53-30-44(4)20-24-62(53)77;;;;;;;;;;;;/h26-33,36-47,90-91H,25,34-35,48-49H2,1-24H3;24-35,38-47,88-89H,23,36-37,48-49H2,1-22H3;20-29,32-42,83-84H,19,30-31,43-44H2,1-18H3;17-24,27-38,78-79H,16,25-26,39-40H2,1-15H3;8*1H3;;;;/q;;;;8*-1;;;;/p+8.
What are the key properties of carbanide;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluoro-4-methylphenyl]-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluoro-4-methylphenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopropyl]oxidanium;hafnium?
carbanide;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluoro-4-methylphenyl]-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluoro-4-methylphenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopropyl]oxidanium;hafnium has a molecular weight of 5578.76 g/mol, XLogP of 91.24, 56 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluoro-4-methylphenyl]-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluoro-4-methylphenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopropyl]oxidanium;[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopropyl]oxidanium;hafnium is sourced from PubChem (CID 162089678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).