1-N-(9,9-dimethylfluoren-4-yl)-6-N-(4-fluoroisoquinolin-3-yl)-1-N-(2-fluorophenyl)-6-N-phenylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-(3-fluoroquinolin-2-yl)-6-N-phenylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrazin-2-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-4-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-5-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinazolin-2-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinazolin-4-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinoxalin-2-ylpyrene-1,6-diamine
C398H274F10N30 — CID 157071911
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-N-(9,9-dimethylfluoren-4-yl)-6-N-(4-fluoroisoquinolin-3-yl)-1-N-(2-fluorophenyl)-6-N-phenylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-(3-fluoroquinolin-2-yl)-6-N-phenylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrazin-2-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-4-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-5-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinazolin-2-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinazolin-4-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinoxalin-2-ylpyrene-1,6-diamine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3F)c3ccc4ccc5c(N(c6ccccc6)c6ccncn6)ccc6ccc3c4c65)cccc21.CC1(C)c2ccccc2-c2c(N(c3ccccc3F)c3ccc4ccc5c(N(c6ccccc6)c6cnc7ccccc7n6)ccc6ccc3c4c65)cccc21.CC1(C)c2ccccc2-c2c(N(c3ccccc3F)c3ccc4ccc5c(N(c6ccccc6)c6cnccn6)ccc6ccc3c4c65)cccc21.CC1(C)c2ccccc2-c2c(N(c3ccccc3F)c3ccc4ccc5c(N(c6ccccc6)c6cncnc6)ccc6ccc3c4c65)cccc21.CC1(C)c2ccccc2-c2c(N(c3ccccc3F)c3ccc4ccc5c(N(c6ccccc6)c6nc7ccccc7cc6F)ccc6ccc3c4c65)cccc21.CC1(C)c2ccccc2-c2c(N(c3ccccc3F)c3ccc4ccc5c(N(c6ccccc6)c6ncc7ccccc7c6F)ccc6ccc3c4c65)cccc21.CC1(C)c2ccccc2-c2c(N(c3ccccc3F)c3ccc4ccc5c(N(c6ccccc6)c6ncc7ccccc7n6)ccc6ccc3c4c65)cccc21.CC1(C)c2ccccc2-c2c(N(c3ccccc3F)c3ccc4ccc5c(N(c6ccccc6)c6ncnc7ccccc67)ccc6ccc3c4c65)cccc21
InChIInChI=1S/2C52H35F2N3.3C51H35FN4.3C47H33FN4/c1-52(2)39-17-8-7-16-36(39)50-40(52)18-12-22-47(50)57(46-21-11-9-19-41(46)53)45-30-26-33-23-27-37-44(29-25-32-24-28-38(45)49(33)48(32)37)56(35-14-4-3-5-15-35)51-42(54)31-34-13-6-10-20-43(34)55-51;1-52(2)40-18-9-8-17-37(40)49-41(52)19-12-22-46(49)57(45-21-11-10-20-42(45)53)44-30-26-33-23-27-38-43(29-25-32-24-28-39(44)48(33)47(32)38)56(35-14-4-3-5-15-35)51-50(54)36-16-7-6-13-34(36)31-55-51;1-51(2)39-17-8-7-16-36(39)49-40(51)18-12-22-46(49)56(45-21-11-9-19-41(45)52)44-30-26-33-23-27-37-43(29-25-32-24-28-38(44)48(33)47(32)37)55(35-14-4-3-5-15-35)50-53-31-34-13-6-10-20-42(34)54-50;1-51(2)39-17-8-6-15-35(39)49-40(51)18-12-22-46(49)56(45-21-11-9-19-41(45)52)44-30-26-33-23-27-37-43(29-25-32-24-28-38(44)48(33)47(32)37)55(34-13-4-3-5-14-34)50-36-16-7-10-20-42(36)53-31-54-50;1-51(2)38-16-7-6-15-35(38)50-39(51)17-12-22-46(50)56(45-21-11-8-18-40(45)52)44-30-26-33-23-27-36-43(29-25-32-24-28-37(44)49(33)48(32)36)55(34-13-4-3-5-14-34)47-31-53-41-19-9-10-20-42(41)54-47;1-47(2)37-14-7-6-13-34(37)46-38(47)15-10-18-43(46)52(42-17-9-8-16-39(42)48)41-26-22-31-19-23-35-40(25-21-30-20-24-36(41)45(31)44(30)35)51(32-11-4-3-5-12-32)33-27-49-29-50-28-33;1-47(2)36-14-7-6-13-33(36)46-37(47)15-10-18-42(46)52(41-17-9-8-16-38(41)48)40-26-22-31-19-23-34-39(25-21-30-20-24-35(40)45(31)44(30)34)51(32-11-4-3-5-12-32)43-29-49-27-28-50-43;1-47(2)36-14-7-6-13-33(36)46-37(47)15-10-18-42(46)52(41-17-9-8-16-38(41)48)40-26-22-31-19-23-34-39(25-21-30-20-24-35(40)45(31)44(30)34)51(32-11-4-3-5-12-32)43-27-28-49-29-50-43/h2*3-31H,1-2H3;3*3-31H,1-2H3;3*3-29H,1-2H3
InChIKeyACNKWUKYZSHTLO-UHFFFAOYSA-N
MW5666.76 g/mol
LogP109.33
Rot. Bonds48
About 1-N-(9,9-dimethylfluoren-4-yl)-6-N-(4-fluoroisoquinolin-3-yl)-1-N-(2-fluorophenyl)-6-N-phenylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-(3-fluoroquinolin-2-yl)-6-N-phenylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrazin-2-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-4-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-5-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinazolin-2-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinazolin-4-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinoxalin-2-ylpyrene-1,6-diamine
1-N-(9,9-dimethylfluoren-4-yl)-6-N-(4-fluoroisoquinolin-3-yl)-1-N-(2-fluorophenyl)-6-N-phenylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-(3-fluoroquinolin-2-yl)-6-N-phenylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrazin-2-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-4-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-5-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinazolin-2-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinazolin-4-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinoxalin-2-ylpyrene-1,6-diamine (PubChem CID 157071911) has the molecular formula C398H274F10N30 and a molecular weight of 5666.76 g/mol. Its IUPAC name is 1-N-(9,9-dimethylfluoren-4-yl)-6-N-(4-fluoroisoquinolin-3-yl)-1-N-(2-fluorophenyl)-6-N-phenylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-(3-fluoroquinolin-2-yl)-6-N-phenylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrazin-2-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-4-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-5-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinazolin-2-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinazolin-4-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinoxalin-2-ylpyrene-1,6-diamine.
Molecular Properties
| Compound Name | 1-N-(9,9-dimethylfluoren-4-yl)-6-N-(4-fluoroisoquinolin-3-yl)-1-N-(2-fluorophenyl)-6-N-phenylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-(3-fluoroquinolin-2-yl)-6-N-phenylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrazin-2-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-4-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-5-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinazolin-2-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinazolin-4-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinoxalin-2-ylpyrene-1,6-diamine |
|---|---|
| PubChem CID | 157071911 |
| Molecular Formula | C398H274F10N30 |
| Molecular Weight | 5666.76 g/mol |
| Exact Mass | 5662.22 |
| IUPAC Name | 1-N-(9,9-dimethylfluoren-4-yl)-6-N-(4-fluoroisoquinolin-3-yl)-1-N-(2-fluorophenyl)-6-N-phenylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-(3-fluoroquinolin-2-yl)-6-N-phenylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrazin-2-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-4-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-5-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinazolin-2-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinazolin-4-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinoxalin-2-ylpyrene-1,6-diamine |
| SMILES | CC1(C)c2ccccc2-c2c(N(c3ccccc3F)c3ccc4ccc5c(N(c6ccccc6)c6ccncn6)ccc6ccc3c4c65)cccc21.CC1(C)c2ccccc2-c2c(N(c3ccccc3F)c3ccc4ccc5c(N(c6ccccc6)c6cnc7ccccc7n6)ccc6ccc3c4c65)cccc21.CC1(C)c2ccccc2-c2c(N(c3ccccc3F)c3ccc4ccc5c(N(c6ccccc6)c6cnccn6)ccc6ccc3c4c65)cccc21.CC1(C)c2ccccc2-c2c(N(c3ccccc3F)c3ccc4ccc5c(N(c6ccccc6)c6cncnc6)ccc6ccc3c4c65)cccc21.CC1(C)c2ccccc2-c2c(N(c3ccccc3F)c3ccc4ccc5c(N(c6ccccc6)c6nc7ccccc7cc6F)ccc6ccc3c4c65)cccc21.CC1(C)c2ccccc2-c2c(N(c3ccccc3F)c3ccc4ccc5c(N(c6ccccc6)c6ncc7ccccc7c6F)ccc6ccc3c4c65)cccc21.CC1(C)c2ccccc2-c2c(N(c3ccccc3F)c3ccc4ccc5c(N(c6ccccc6)c6ncc7ccccc7n6)ccc6ccc3c4c65)cccc21.CC1(C)c2ccccc2-c2c(N(c3ccccc3F)c3ccc4ccc5c(N(c6ccccc6)c6ncnc7ccccc67)ccc6ccc3c4c65)cccc21 |
| InChI | InChI=1S/2C52H35F2N3.3C51H35FN4.3C47H33FN4/c1-52(2)39-17-8-7-16-36(39)50-40(52)18-12-22-47(50)57(46-21-11-9-19-41(46)53)45-30-26-33-23-27-37-44(29-25-32-24-28-38(45)49(33)48(32)37)56(35-14-4-3-5-15-35)51-42(54)31-34-13-6-10-20-43(34)55-51;1-52(2)40-18-9-8-17-37(40)49-41(52)19-12-22-46(49)57(45-21-11-10-20-42(45)53)44-30-26-33-23-27-38-43(29-25-32-24-28-39(44)48(33)47(32)38)56(35-14-4-3-5-15-35)51-50(54)36-16-7-6-13-34(36)31-55-51;1-51(2)39-17-8-7-16-36(39)49-40(51)18-12-22-46(49)56(45-21-11-9-19-41(45)52)44-30-26-33-23-27-37-43(29-25-32-24-28-38(44)48(33)47(32)37)55(35-14-4-3-5-15-35)50-53-31-34-13-6-10-20-42(34)54-50;1-51(2)39-17-8-6-15-35(39)49-40(51)18-12-22-46(49)56(45-21-11-9-19-41(45)52)44-30-26-33-23-27-37-43(29-25-32-24-28-38(44)48(33)47(32)37)55(34-13-4-3-5-14-34)50-36-16-7-10-20-42(36)53-31-54-50;1-51(2)38-16-7-6-15-35(38)50-39(51)17-12-22-46(50)56(45-21-11-8-18-40(45)52)44-30-26-33-23-27-36-43(29-25-32-24-28-37(44)49(33)48(32)36)55(34-13-4-3-5-14-34)47-31-53-41-19-9-10-20-42(41)54-47;1-47(2)37-14-7-6-13-34(37)46-38(47)15-10-18-43(46)52(42-17-9-8-16-39(42)48)41-26-22-31-19-23-35-40(25-21-30-20-24-36(41)45(31)44(30)35)51(32-11-4-3-5-12-32)33-27-49-29-50-28-33;1-47(2)36-14-7-6-13-33(36)46-37(47)15-10-18-42(46)52(41-17-9-8-16-38(41)48)40-26-22-31-19-23-34-39(25-21-30-20-24-35(40)45(31)44(30)34)51(32-11-4-3-5-12-32)43-29-49-27-28-50-43;1-47(2)36-14-7-6-13-33(36)46-37(47)15-10-18-42(46)52(41-17-9-8-16-38(41)48)40-26-22-31-19-23-34-39(25-21-30-20-24-35(40)45(31)44(30)34)51(32-11-4-3-5-12-32)43-27-28-49-29-50-43/h2*3-31H,1-2H3;3*3-31H,1-2H3;3*3-29H,1-2H3 |
| InChIKey | ACNKWUKYZSHTLO-UHFFFAOYSA-N |
| XLogP | 109.33 |
| TPSA | 232.30 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 438 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5666.76 |
| LogP ≤ 5 | 109.33 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 30 |
Frequently Asked Questions
What is the IUPAC name of 1-N-(9,9-dimethylfluoren-4-yl)-6-N-(4-fluoroisoquinolin-3-yl)-1-N-(2-fluorophenyl)-6-N-phenylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-(3-fluoroquinolin-2-yl)-6-N-phenylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrazin-2-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-4-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-5-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinazolin-2-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinazolin-4-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinoxalin-2-ylpyrene-1,6-diamine?
The IUPAC name of 1-N-(9,9-dimethylfluoren-4-yl)-6-N-(4-fluoroisoquinolin-3-yl)-1-N-(2-fluorophenyl)-6-N-phenylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-(3-fluoroquinolin-2-yl)-6-N-phenylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrazin-2-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-4-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-5-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinazolin-2-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinazolin-4-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinoxalin-2-ylpyrene-1,6-diamine (CID 157071911) is 1-N-(9,9-dimethylfluoren-4-yl)-6-N-(4-fluoroisoquinolin-3-yl)-1-N-(2-fluorophenyl)-6-N-phenylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-(3-fluoroquinolin-2-yl)-6-N-phenylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrazin-2-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-4-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-5-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinazolin-2-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinazolin-4-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinoxalin-2-ylpyrene-1,6-diamine.
What is the SMILES notation for 1-N-(9,9-dimethylfluoren-4-yl)-6-N-(4-fluoroisoquinolin-3-yl)-1-N-(2-fluorophenyl)-6-N-phenylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-(3-fluoroquinolin-2-yl)-6-N-phenylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrazin-2-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-4-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-5-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinazolin-2-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinazolin-4-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinoxalin-2-ylpyrene-1,6-diamine?
The canonical SMILES for 1-N-(9,9-dimethylfluoren-4-yl)-6-N-(4-fluoroisoquinolin-3-yl)-1-N-(2-fluorophenyl)-6-N-phenylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-(3-fluoroquinolin-2-yl)-6-N-phenylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrazin-2-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-4-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-5-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinazolin-2-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinazolin-4-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinoxalin-2-ylpyrene-1,6-diamine is CC1(C)c2ccccc2-c2c(N(c3ccccc3F)c3ccc4ccc5c(N(c6ccccc6)c6ccncn6)ccc6ccc3c4c65)cccc21.CC1(C)c2ccccc2-c2c(N(c3ccccc3F)c3ccc4ccc5c(N(c6ccccc6)c6cnc7ccccc7n6)ccc6ccc3c4c65)cccc21.CC1(C)c2ccccc2-c2c(N(c3ccccc3F)c3ccc4ccc5c(N(c6ccccc6)c6cnccn6)ccc6ccc3c4c65)cccc21.CC1(C)c2ccccc2-c2c(N(c3ccccc3F)c3ccc4ccc5c(N(c6ccccc6)c6cncnc6)ccc6ccc3c4c65)cccc21.CC1(C)c2ccccc2-c2c(N(c3ccccc3F)c3ccc4ccc5c(N(c6ccccc6)c6nc7ccccc7cc6F)ccc6ccc3c4c65)cccc21.CC1(C)c2ccccc2-c2c(N(c3ccccc3F)c3ccc4ccc5c(N(c6ccccc6)c6ncc7ccccc7c6F)ccc6ccc3c4c65)cccc21.CC1(C)c2ccccc2-c2c(N(c3ccccc3F)c3ccc4ccc5c(N(c6ccccc6)c6ncc7ccccc7n6)ccc6ccc3c4c65)cccc21.CC1(C)c2ccccc2-c2c(N(c3ccccc3F)c3ccc4ccc5c(N(c6ccccc6)c6ncnc7ccccc67)ccc6ccc3c4c65)cccc21.
What is the InChIKey of 1-N-(9,9-dimethylfluoren-4-yl)-6-N-(4-fluoroisoquinolin-3-yl)-1-N-(2-fluorophenyl)-6-N-phenylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-(3-fluoroquinolin-2-yl)-6-N-phenylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrazin-2-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-4-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-5-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinazolin-2-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinazolin-4-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinoxalin-2-ylpyrene-1,6-diamine?
The InChIKey is ACNKWUKYZSHTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H35F2N3.3C51H35FN4.3C47H33FN4/c1-52(2)39-17-8-7-16-36(39)50-40(52)18-12-22-47(50)57(46-21-11-9-19-41(46)53)45-30-26-33-23-27-37-44(29-25-32-24-28-38(45)49(33)48(32)37)56(35-14-4-3-5-15-35)51-42(54)31-34-13-6-10-20-43(34)55-51;1-52(2)40-18-9-8-17-37(40)49-41(52)19-12-22-46(49)57(45-21-11-10-20-42(45)53)44-30-26-33-23-27-38-43(29-25-32-24-28-39(44)48(33)47(32)38)56(35-14-4-3-5-15-35)51-50(54)36-16-7-6-13-34(36)31-55-51;1-51(2)39-17-8-7-16-36(39)49-40(51)18-12-22-46(49)56(45-21-11-9-19-41(45)52)44-30-26-33-23-27-37-43(29-25-32-24-28-38(44)48(33)47(32)37)55(35-14-4-3-5-15-35)50-53-31-34-13-6-10-20-42(34)54-50;1-51(2)39-17-8-6-15-35(39)49-40(51)18-12-22-46(49)56(45-21-11-9-19-41(45)52)44-30-26-33-23-27-37-43(29-25-32-24-28-38(44)48(33)47(32)37)55(34-13-4-3-5-14-34)50-36-16-7-10-20-42(36)53-31-54-50;1-51(2)38-16-7-6-15-35(38)50-39(51)17-12-22-46(50)56(45-21-11-8-18-40(45)52)44-30-26-33-23-27-36-43(29-25-32-24-28-37(44)49(33)48(32)36)55(34-13-4-3-5-14-34)47-31-53-41-19-9-10-20-42(41)54-47;1-47(2)37-14-7-6-13-34(37)46-38(47)15-10-18-43(46)52(42-17-9-8-16-39(42)48)41-26-22-31-19-23-35-40(25-21-30-20-24-36(41)45(31)44(30)35)51(32-11-4-3-5-12-32)33-27-49-29-50-28-33;1-47(2)36-14-7-6-13-33(36)46-37(47)15-10-18-42(46)52(41-17-9-8-16-38(41)48)40-26-22-31-19-23-34-39(25-21-30-20-24-35(40)45(31)44(30)34)51(32-11-4-3-5-12-32)43-29-49-27-28-50-43;1-47(2)36-14-7-6-13-33(36)46-37(47)15-10-18-42(46)52(41-17-9-8-16-38(41)48)40-26-22-31-19-23-34-39(25-21-30-20-24-35(40)45(31)44(30)34)51(32-11-4-3-5-12-32)43-27-28-49-29-50-43/h2*3-31H,1-2H3;3*3-31H,1-2H3;3*3-29H,1-2H3.
What are the key properties of 1-N-(9,9-dimethylfluoren-4-yl)-6-N-(4-fluoroisoquinolin-3-yl)-1-N-(2-fluorophenyl)-6-N-phenylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-(3-fluoroquinolin-2-yl)-6-N-phenylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrazin-2-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-4-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-5-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinazolin-2-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinazolin-4-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinoxalin-2-ylpyrene-1,6-diamine?
1-N-(9,9-dimethylfluoren-4-yl)-6-N-(4-fluoroisoquinolin-3-yl)-1-N-(2-fluorophenyl)-6-N-phenylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-(3-fluoroquinolin-2-yl)-6-N-phenylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrazin-2-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-4-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-5-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinazolin-2-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinazolin-4-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinoxalin-2-ylpyrene-1,6-diamine has a molecular weight of 5666.76 g/mol, XLogP of 109.33, 48 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(9,9-dimethylfluoren-4-yl)-6-N-(4-fluoroisoquinolin-3-yl)-1-N-(2-fluorophenyl)-6-N-phenylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-(3-fluoroquinolin-2-yl)-6-N-phenylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrazin-2-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-4-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-5-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinazolin-2-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinazolin-4-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinoxalin-2-ylpyrene-1,6-diamine is sourced from PubChem (CID 157071911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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