2-(N-[21-(N-(2-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;4-(N-[21-(N-(4-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;13-N,21-N-di(dibenzofuran-1-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;3-(N-[21-(N-(3-isocyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile

C300H167N21O14 — CID 157332138

IUPAC2-(N-[21-(N-(2-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;4-(N-[21-(N-(4-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;13-N,21-N-di(dibenzofuran-1-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;3-(N-[21-(N-(3-isocyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile
SMILESN#Cc1ccc(N(c2ccccc2)c2cc3c4ccccc4oc3c3c2c2cccc4c5c(N(c6ccccc6)c6ccc(C#N)cc6)cc6c7ccccc7oc6c5n3c24)cc1.N#Cc1ccccc1N(c1ccccc1)c1cc2c3ccccc3oc2c2c1c1cccc3c4c(N(c5ccccc5)c5ccccc5C#N)cc5c6ccccc6oc5c4n2c13.[C-]#[N+]c1cccc(N(c2ccccc2)c2cc3c4ccccc4oc3c3c2c2cccc4c5c(N(c6ccccc6)c6cccc(C#N)c6)cc6c7ccccc7oc6c5n3c42)c1.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc3c4ccccc4oc3c3c2c2cccc4c5c(N(c6ccccc6)c6ccc7oc8ccccc8c7c6)cc6c7ccccc7oc6c5n3c24)cc1.c1ccc(N(c2cccc3oc4ccccc4c23)c2cc3c4ccccc4oc3c3c2c2cccc4c5c(N(c6ccccc6)c6cccc7oc8ccccc8c67)cc6c7ccccc7oc6c5n3c24)cc1
InChIInChI=1S/2C66H37N3O4.3C56H31N5O2/c1-3-18-38(19-4-1)67(48-28-16-34-56-58(48)42-24-9-13-32-54(42)70-56)50-36-46-40-22-7-11-30-52(40)72-65(46)63-60(50)44-26-15-27-45-61-51(37-47-41-23-8-12-31-53(41)73-66(47)64(61)69(63)62(44)45)68(39-20-5-2-6-21-39)49-29-17-35-57-59(49)43-25-10-14-33-55(43)71-57;1-3-16-38(17-4-1)67(40-30-32-58-48(34-40)42-20-7-11-26-54(42)70-58)52-36-50-44-22-9-13-28-56(44)72-65(50)63-60(52)46-24-15-25-47-61-53(37-51-45-23-10-14-29-57(45)73-66(51)64(61)69(63)62(46)47)68(39-18-5-2-6-19-39)41-31-33-59-49(35-41)43-21-8-12-27-55(43)71-59;1-58-35-16-13-22-39(30-35)60(37-19-6-3-7-20-37)47-32-45-41-24-9-11-28-49(41)63-56(45)54-51(47)43-26-14-25-42-50-46(59(36-17-4-2-5-18-36)38-21-12-15-34(29-38)33-57)31-44-40-23-8-10-27-48(40)62-55(44)53(50)61(54)52(42)43;57-32-34-16-7-11-26-44(34)59(36-18-3-1-4-19-36)46-30-42-38-22-9-13-28-48(38)62-55(42)53-50(46)40-24-15-25-41-51-47(60(37-20-5-2-6-21-37)45-27-12-8-17-35(45)33-58)31-43-39-23-10-14-29-49(39)63-56(43)54(51)61(53)52(40)41;57-32-34-22-26-38(27-23-34)59(36-12-3-1-4-13-36)46-30-44-40-16-7-9-20-48(40)62-55(44)53-50(46)42-18-11-19-43-51-47(60(37-14-5-2-6-15-37)39-28-24-35(33-58)25-29-39)31-45-41-17-8-10-21-49(41)63-56(45)54(51)61(53)52(42)43/h2*1-37H;2-32H;2*1-31H
InChIKeyBFKIXOVQTWGRPI-UHFFFAOYSA-N
MW4289.77 g/mol
LogP85.38
Rot. Bonds30

About 2-(N-[21-(N-(2-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;4-(N-[21-(N-(4-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;13-N,21-N-di(dibenzofuran-1-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;3-(N-[21-(N-(3-isocyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile

2-(N-[21-(N-(2-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;4-(N-[21-(N-(4-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;13-N,21-N-di(dibenzofuran-1-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;3-(N-[21-(N-(3-isocyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile (PubChem CID 157332138) has the molecular formula C300H167N21O14 and a molecular weight of 4289.77 g/mol. Its IUPAC name is 2-(N-[21-(N-(2-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;4-(N-[21-(N-(4-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;13-N,21-N-di(dibenzofuran-1-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;3-(N-[21-(N-(3-isocyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile.

Molecular Properties

Compound Name2-(N-[21-(N-(2-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;4-(N-[21-(N-(4-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;13-N,21-N-di(dibenzofuran-1-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;3-(N-[21-(N-(3-isocyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile
PubChem CID157332138
Molecular FormulaC300H167N21O14
Molecular Weight4289.77 g/mol
Exact Mass4286.30
IUPAC Name2-(N-[21-(N-(2-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;4-(N-[21-(N-(4-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;13-N,21-N-di(dibenzofuran-1-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;3-(N-[21-(N-(3-isocyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile
SMILESN#Cc1ccc(N(c2ccccc2)c2cc3c4ccccc4oc3c3c2c2cccc4c5c(N(c6ccccc6)c6ccc(C#N)cc6)cc6c7ccccc7oc6c5n3c24)cc1.N#Cc1ccccc1N(c1ccccc1)c1cc2c3ccccc3oc2c2c1c1cccc3c4c(N(c5ccccc5)c5ccccc5C#N)cc5c6ccccc6oc5c4n2c13.[C-]#[N+]c1cccc(N(c2ccccc2)c2cc3c4ccccc4oc3c3c2c2cccc4c5c(N(c6ccccc6)c6cccc(C#N)c6)cc6c7ccccc7oc6c5n3c42)c1.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc3c4ccccc4oc3c3c2c2cccc4c5c(N(c6ccccc6)c6ccc7oc8ccccc8c7c6)cc6c7ccccc7oc6c5n3c24)cc1.c1ccc(N(c2cccc3oc4ccccc4c23)c2cc3c4ccccc4oc3c3c2c2cccc4c5c(N(c6ccccc6)c6cccc7oc8ccccc8c67)cc6c7ccccc7oc6c5n3c24)cc1
InChIInChI=1S/2C66H37N3O4.3C56H31N5O2/c1-3-18-38(19-4-1)67(48-28-16-34-56-58(48)42-24-9-13-32-54(42)70-56)50-36-46-40-22-7-11-30-52(40)72-65(46)63-60(50)44-26-15-27-45-61-51(37-47-41-23-8-12-31-53(41)73-66(47)64(61)69(63)62(44)45)68(39-20-5-2-6-21-39)49-29-17-35-57-59(49)43-25-10-14-33-55(43)71-57;1-3-16-38(17-4-1)67(40-30-32-58-48(34-40)42-20-7-11-26-54(42)70-58)52-36-50-44-22-9-13-28-56(44)72-65(50)63-60(52)46-24-15-25-47-61-53(37-51-45-23-10-14-29-57(45)73-66(51)64(61)69(63)62(46)47)68(39-18-5-2-6-19-39)41-31-33-59-49(35-41)43-21-8-12-27-55(43)71-59;1-58-35-16-13-22-39(30-35)60(37-19-6-3-7-20-37)47-32-45-41-24-9-11-28-49(41)63-56(45)54-51(47)43-26-14-25-42-50-46(59(36-17-4-2-5-18-36)38-21-12-15-34(29-38)33-57)31-44-40-23-8-10-27-48(40)62-55(44)53(50)61(54)52(42)43;57-32-34-16-7-11-26-44(34)59(36-18-3-1-4-19-36)46-30-42-38-22-9-13-28-48(38)62-55(42)53-50(46)40-24-15-25-41-51-47(60(37-20-5-2-6-21-37)45-27-12-8-17-35(45)33-58)31-43-39-23-10-14-29-49(39)63-56(43)54(51)61(53)52(40)41;57-32-34-22-26-38(27-23-34)59(36-12-3-1-4-13-36)46-30-44-40-16-7-9-20-48(40)62-55(44)53-50(46)42-18-11-19-43-51-47(60(37-14-5-2-6-15-37)39-28-24-35(33-58)25-29-39)31-45-41-17-8-10-21-49(41)63-56(45)54(51)61(53)52(42)43/h2*1-37H;2-32H;2*1-31H
InChIKeyBFKIXOVQTWGRPI-UHFFFAOYSA-N
XLogP85.38
TPSA361.72 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds30
Heavy Atoms335
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004289.77
LogP ≤ 585.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze 2-(N-[21-(N-(2-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;4-(N-[21-(N-(4-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;13-N,21-N-di(dibenzofuran-1-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;3-(N-[21-(N-(3-isocyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile with MolForge

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Related Compounds

13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine
CID 146376635
13-N,21-N-diphenyl-13-N,21-N-bis(3-phenylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine
CID 146376626
13-N,21-N-bis(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine
CID 146376636
2-(N-[6-(N-(2-isocyanophenyl)anilino)-3,8-dimethylpyren-1-yl]anilino)benzonitrile;3-(N-[6-(N-(3-isocyanophenyl)anilino)-3,8-dimethylpyren-1-yl]anilino)benzonitrile;4-(N-[6-(N-(4-isocyanophenyl)anilino)-3,8-dimethylpyren-1-yl]anilino)benzonitrile
CID 160861799
13-N,21-N-bis(9,9-dimethylfluoren-3-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine
CID 146376639
8-N,23-N-bis(2-fluorophenyl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;2-(N-[23-(N-(2-isocyanophenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)benzonitrile;3-(N-[23-(N-(3-isocyanophenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)benzonitrile
CID 158024447
13-N,28-N-di(dibenzofuran-1-yl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;13-N,28-N-di(dibenzofuran-2-yl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;13-N,28-N-di(dibenzofuran-3-yl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;4-(N-[28-(N-(4-isocyanophenyl)-4-methylanilino)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaen-13-yl]-4-trimethylsilylanilino)benzonitrile;4-(N-[28-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-4-propan-2-ylanilino)benzonitrile
CID 157056566
2-(N-[6-(N-(2-isocyanophenyl)anilino)pyren-1-yl]anilino)benzonitrile;3-(N-[6-(N-(3-isocyanophenyl)anilino)pyren-1-yl]anilino)benzonitrile;4-(N-[6-(N-(4-isocyanophenyl)anilino)pyren-1-yl]anilino)benzonitrile;4-(N-[6-(N-(4-isocyanophenyl)-4-methylanilino)pyren-1-yl]-4-methylanilino)benzonitrile
CID 160642788
13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(3-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine
CID 146375962
4-(N-[20-(N-(4-isocyanophenyl)anilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]anilino)benzonitrile
CID 123546183
6-N,22-N-bis(2-fluorophenyl)-6-N,22-N,14-triphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(3-fluorophenyl)-6-N,22-N,14-triphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(4-fluorophenyl)-6-N,22-N,14-triphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;2-(N-[22-(N-(2-cyanophenyl)anilino)-14-phenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaen-6-yl]anilino)benzonitrile;4-(N-[22-(N-(4-cyanophenyl)anilino)-14-phenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaen-6-yl]anilino)benzonitrile;3-(N-[22-(N-(3-isocyanophenyl)anilino)-14-phenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaen-6-yl]anilino)benzonitrile
CID 162062912
13-N,21-N-bis(2,4-diphenylphenyl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine
CID 146375950

Frequently Asked Questions

What is the IUPAC name of 2-(N-[21-(N-(2-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;4-(N-[21-(N-(4-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;13-N,21-N-di(dibenzofuran-1-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;3-(N-[21-(N-(3-isocyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile?
The IUPAC name of 2-(N-[21-(N-(2-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;4-(N-[21-(N-(4-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;13-N,21-N-di(dibenzofuran-1-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;3-(N-[21-(N-(3-isocyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile (CID 157332138) is 2-(N-[21-(N-(2-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;4-(N-[21-(N-(4-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;13-N,21-N-di(dibenzofuran-1-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;3-(N-[21-(N-(3-isocyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile.
What is the SMILES notation for 2-(N-[21-(N-(2-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;4-(N-[21-(N-(4-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;13-N,21-N-di(dibenzofuran-1-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;3-(N-[21-(N-(3-isocyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile?
The canonical SMILES for 2-(N-[21-(N-(2-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;4-(N-[21-(N-(4-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;13-N,21-N-di(dibenzofuran-1-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;3-(N-[21-(N-(3-isocyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile is N#Cc1ccc(N(c2ccccc2)c2cc3c4ccccc4oc3c3c2c2cccc4c5c(N(c6ccccc6)c6ccc(C#N)cc6)cc6c7ccccc7oc6c5n3c24)cc1.N#Cc1ccccc1N(c1ccccc1)c1cc2c3ccccc3oc2c2c1c1cccc3c4c(N(c5ccccc5)c5ccccc5C#N)cc5c6ccccc6oc5c4n2c13.[C-]#[N+]c1cccc(N(c2ccccc2)c2cc3c4ccccc4oc3c3c2c2cccc4c5c(N(c6ccccc6)c6cccc(C#N)c6)cc6c7ccccc7oc6c5n3c42)c1.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc3c4ccccc4oc3c3c2c2cccc4c5c(N(c6ccccc6)c6ccc7oc8ccccc8c7c6)cc6c7ccccc7oc6c5n3c24)cc1.c1ccc(N(c2cccc3oc4ccccc4c23)c2cc3c4ccccc4oc3c3c2c2cccc4c5c(N(c6ccccc6)c6cccc7oc8ccccc8c67)cc6c7ccccc7oc6c5n3c24)cc1.
What is the InChIKey of 2-(N-[21-(N-(2-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;4-(N-[21-(N-(4-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;13-N,21-N-di(dibenzofuran-1-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;3-(N-[21-(N-(3-isocyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile?
The InChIKey is BFKIXOVQTWGRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C66H37N3O4.3C56H31N5O2/c1-3-18-38(19-4-1)67(48-28-16-34-56-58(48)42-24-9-13-32-54(42)70-56)50-36-46-40-22-7-11-30-52(40)72-65(46)63-60(50)44-26-15-27-45-61-51(37-47-41-23-8-12-31-53(41)73-66(47)64(61)69(63)62(44)45)68(39-20-5-2-6-21-39)49-29-17-35-57-59(49)43-25-10-14-33-55(43)71-57;1-3-16-38(17-4-1)67(40-30-32-58-48(34-40)42-20-7-11-26-54(42)70-58)52-36-50-44-22-9-13-28-56(44)72-65(50)63-60(52)46-24-15-25-47-61-53(37-51-45-23-10-14-29-57(45)73-66(51)64(61)69(63)62(46)47)68(39-18-5-2-6-19-39)41-31-33-59-49(35-41)43-21-8-12-27-55(43)71-59;1-58-35-16-13-22-39(30-35)60(37-19-6-3-7-20-37)47-32-45-41-24-9-11-28-49(41)63-56(45)54-51(47)43-26-14-25-42-50-46(59(36-17-4-2-5-18-36)38-21-12-15-34(29-38)33-57)31-44-40-23-8-10-27-48(40)62-55(44)53(50)61(54)52(42)43;57-32-34-16-7-11-26-44(34)59(36-18-3-1-4-19-36)46-30-42-38-22-9-13-28-48(38)62-55(42)53-50(46)40-24-15-25-41-51-47(60(37-20-5-2-6-21-37)45-27-12-8-17-35(45)33-58)31-43-39-23-10-14-29-49(39)63-56(43)54(51)61(53)52(40)41;57-32-34-22-26-38(27-23-34)59(36-12-3-1-4-13-36)46-30-44-40-16-7-9-20-48(40)62-55(44)53-50(46)42-18-11-19-43-51-47(60(37-14-5-2-6-15-37)39-28-24-35(33-58)25-29-39)31-45-41-17-8-10-21-49(41)63-56(45)54(51)61(53)52(42)43/h2*1-37H;2-32H;2*1-31H.
What are the key properties of 2-(N-[21-(N-(2-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;4-(N-[21-(N-(4-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;13-N,21-N-di(dibenzofuran-1-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;3-(N-[21-(N-(3-isocyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile?
2-(N-[21-(N-(2-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;4-(N-[21-(N-(4-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;13-N,21-N-di(dibenzofuran-1-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;3-(N-[21-(N-(3-isocyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile has a molecular weight of 4289.77 g/mol, XLogP of 85.38, 30 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[21-(N-(2-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;4-(N-[21-(N-(4-cyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile;13-N,21-N-di(dibenzofuran-1-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;3-(N-[21-(N-(3-isocyanophenyl)anilino)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaen-13-yl]anilino)benzonitrile is sourced from PubChem (CID 157332138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).