N-[4-[1-tert-butyl-5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N,6-diphenylpyridin-3-amine;N-[4-[1-tert-butyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-methylphenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N,6-diphenylpyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N,6-diphenylpyridin-3-amine;N-[3-methyl-4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine
C275H207F12N25 — CID 158442627
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-[4-[1-tert-butyl-5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N,6-diphenylpyridin-3-amine;N-[4-[1-tert-butyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-methylphenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N,6-diphenylpyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N,6-diphenylpyridin-3-amine;N-[3-methyl-4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine
SMILESCC(C)(C)n1c(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)nc3)cc2F)ccc1-c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)nc2)cc1F.Cc1cc(N(c2ccc(-c3ccccc3)cc2)c2cccnc2)ccc1-c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccnc3)cc2C(F)(F)F)n1-c1ccccc1.Cc1cc(N(c2ccc(-c3ccccc3)cc2)c2cccnc2)ccc1-c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccnc3)cc2C(F)(F)F)n1C(C)(C)C.Cn1c(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)nc3)cc2F)ccc1-c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)nc2)cc1F.Fc1cc(N(c2ccccc2)c2ccc(-c3ccccc3)nc2)ccc1-c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)nc3)cc2F)n1-c1ccccc1
InChIInChI=1S/C58H42F3N5.C56H46F3N5.C56H39F2N5.C54H43F2N5.C51H37F2N5/c1-41-37-49(64(51-19-11-35-62-39-51)47-25-21-44(22-26-47)42-13-5-2-6-14-42)29-31-53(41)56-33-34-57(66(56)46-17-9-4-10-18-46)54-32-30-50(38-55(54)58(59,60)61)65(52-20-12-36-63-40-52)48-27-23-45(24-28-48)43-15-7-3-8-16-43;1-39-35-46(62(48-17-11-33-60-37-48)44-23-19-42(20-24-44)40-13-7-5-8-14-40)27-29-50(39)53-31-32-54(64(53)55(2,3)4)51-30-28-47(36-52(51)56(57,58)59)63(49-18-12-34-61-38-49)45-25-21-43(22-26-45)41-15-9-6-10-16-41;57-51-36-45(61(42-20-10-3-11-21-42)47-28-32-53(59-38-47)40-16-6-1-7-17-40)26-30-49(51)55-34-35-56(63(55)44-24-14-5-15-25-44)50-31-27-46(37-52(50)58)62(43-22-12-4-13-23-43)48-29-33-54(60-39-48)41-18-8-2-9-19-41;1-54(2,3)61-52(46-28-24-42(34-48(46)55)59(40-20-12-6-13-21-40)44-26-30-50(57-36-44)38-16-8-4-9-17-38)32-33-53(61)47-29-25-43(35-49(47)56)60(41-22-14-7-15-23-41)45-27-31-51(58-37-45)39-18-10-5-11-19-39;1-56-50(44-26-22-40(32-46(44)52)57(38-18-10-4-11-19-38)42-24-28-48(54-34-42)36-14-6-2-7-15-36)30-31-51(56)45-27-23-41(33-47(45)53)58(39-20-12-5-13-21-39)43-25-29-49(55-35-43)37-16-8-3-9-17-37/h2-40H,1H3;5-38H,1-4H3;1-39H;4-37H,1-3H3;2-35H,1H3
InChIKeyHCZQQDAHHOSGBF-UHFFFAOYSA-N
MW4089.83 g/mol
LogP75.94
Rot. Bonds52
About N-[4-[1-tert-butyl-5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N,6-diphenylpyridin-3-amine;N-[4-[1-tert-butyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-methylphenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N,6-diphenylpyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N,6-diphenylpyridin-3-amine;N-[3-methyl-4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine
N-[4-[1-tert-butyl-5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N,6-diphenylpyridin-3-amine;N-[4-[1-tert-butyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-methylphenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N,6-diphenylpyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N,6-diphenylpyridin-3-amine;N-[3-methyl-4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine (PubChem CID 158442627) has the molecular formula C275H207F12N25 and a molecular weight of 4089.83 g/mol. Its IUPAC name is N-[4-[1-tert-butyl-5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N,6-diphenylpyridin-3-amine;N-[4-[1-tert-butyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-methylphenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N,6-diphenylpyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N,6-diphenylpyridin-3-amine;N-[3-methyl-4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine.
Molecular Properties
| Compound Name | N-[4-[1-tert-butyl-5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N,6-diphenylpyridin-3-amine;N-[4-[1-tert-butyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-methylphenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N,6-diphenylpyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N,6-diphenylpyridin-3-amine;N-[3-methyl-4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine |
|---|---|
| PubChem CID | 158442627 |
| Molecular Formula | C275H207F12N25 |
| Molecular Weight | 4089.83 g/mol |
| Exact Mass | 4086.68 |
| IUPAC Name | N-[4-[1-tert-butyl-5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N,6-diphenylpyridin-3-amine;N-[4-[1-tert-butyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-methylphenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N,6-diphenylpyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N,6-diphenylpyridin-3-amine;N-[3-methyl-4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine |
| SMILES | CC(C)(C)n1c(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)nc3)cc2F)ccc1-c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)nc2)cc1F.Cc1cc(N(c2ccc(-c3ccccc3)cc2)c2cccnc2)ccc1-c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccnc3)cc2C(F)(F)F)n1-c1ccccc1.Cc1cc(N(c2ccc(-c3ccccc3)cc2)c2cccnc2)ccc1-c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccnc3)cc2C(F)(F)F)n1C(C)(C)C.Cn1c(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)nc3)cc2F)ccc1-c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)nc2)cc1F.Fc1cc(N(c2ccccc2)c2ccc(-c3ccccc3)nc2)ccc1-c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)nc3)cc2F)n1-c1ccccc1 |
| InChI | InChI=1S/C58H42F3N5.C56H46F3N5.C56H39F2N5.C54H43F2N5.C51H37F2N5/c1-41-37-49(64(51-19-11-35-62-39-51)47-25-21-44(22-26-47)42-13-5-2-6-14-42)29-31-53(41)56-33-34-57(66(56)46-17-9-4-10-18-46)54-32-30-50(38-55(54)58(59,60)61)65(52-20-12-36-63-40-52)48-27-23-45(24-28-48)43-15-7-3-8-16-43;1-39-35-46(62(48-17-11-33-60-37-48)44-23-19-42(20-24-44)40-13-7-5-8-14-40)27-29-50(39)53-31-32-54(64(53)55(2,3)4)51-30-28-47(36-52(51)56(57,58)59)63(49-18-12-34-61-38-49)45-25-21-43(22-26-45)41-15-9-6-10-16-41;57-51-36-45(61(42-20-10-3-11-21-42)47-28-32-53(59-38-47)40-16-6-1-7-17-40)26-30-49(51)55-34-35-56(63(55)44-24-14-5-15-25-44)50-31-27-46(37-52(50)58)62(43-22-12-4-13-23-43)48-29-33-54(60-39-48)41-18-8-2-9-19-41;1-54(2,3)61-52(46-28-24-42(34-48(46)55)59(40-20-12-6-13-21-40)44-26-30-50(57-36-44)38-16-8-4-9-17-38)32-33-53(61)47-29-25-43(35-49(47)56)60(41-22-14-7-15-23-41)45-27-31-51(58-37-45)39-18-10-5-11-19-39;1-56-50(44-26-22-40(32-46(44)52)57(38-18-10-4-11-19-38)42-24-28-48(54-34-42)36-14-6-2-7-15-36)30-31-51(56)45-27-23-41(33-47(45)53)58(39-20-12-5-13-21-39)43-25-29-49(55-35-43)37-16-8-3-9-17-37/h2-40H,1H3;5-38H,1-4H3;1-39H;4-37H,1-3H3;2-35H,1H3 |
| InChIKey | HCZQQDAHHOSGBF-UHFFFAOYSA-N |
| XLogP | 75.94 |
| TPSA | 185.95 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 52 |
| Heavy Atoms | 312 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4089.83 |
| LogP ≤ 5 | 75.94 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 25 |
Frequently Asked Questions
What is the IUPAC name of N-[4-[1-tert-butyl-5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N,6-diphenylpyridin-3-amine;N-[4-[1-tert-butyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-methylphenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N,6-diphenylpyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N,6-diphenylpyridin-3-amine;N-[3-methyl-4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine?
The IUPAC name of N-[4-[1-tert-butyl-5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N,6-diphenylpyridin-3-amine;N-[4-[1-tert-butyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-methylphenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N,6-diphenylpyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N,6-diphenylpyridin-3-amine;N-[3-methyl-4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine (CID 158442627) is N-[4-[1-tert-butyl-5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N,6-diphenylpyridin-3-amine;N-[4-[1-tert-butyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-methylphenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N,6-diphenylpyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N,6-diphenylpyridin-3-amine;N-[3-methyl-4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine.
What is the SMILES notation for N-[4-[1-tert-butyl-5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N,6-diphenylpyridin-3-amine;N-[4-[1-tert-butyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-methylphenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N,6-diphenylpyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N,6-diphenylpyridin-3-amine;N-[3-methyl-4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine?
The canonical SMILES for N-[4-[1-tert-butyl-5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N,6-diphenylpyridin-3-amine;N-[4-[1-tert-butyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-methylphenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N,6-diphenylpyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N,6-diphenylpyridin-3-amine;N-[3-methyl-4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine is CC(C)(C)n1c(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)nc3)cc2F)ccc1-c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)nc2)cc1F.Cc1cc(N(c2ccc(-c3ccccc3)cc2)c2cccnc2)ccc1-c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccnc3)cc2C(F)(F)F)n1-c1ccccc1.Cc1cc(N(c2ccc(-c3ccccc3)cc2)c2cccnc2)ccc1-c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccnc3)cc2C(F)(F)F)n1C(C)(C)C.Cn1c(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)nc3)cc2F)ccc1-c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)nc2)cc1F.Fc1cc(N(c2ccccc2)c2ccc(-c3ccccc3)nc2)ccc1-c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)nc3)cc2F)n1-c1ccccc1.
What is the InChIKey of N-[4-[1-tert-butyl-5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N,6-diphenylpyridin-3-amine;N-[4-[1-tert-butyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-methylphenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N,6-diphenylpyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N,6-diphenylpyridin-3-amine;N-[3-methyl-4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine?
The InChIKey is HCZQQDAHHOSGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42F3N5.C56H46F3N5.C56H39F2N5.C54H43F2N5.C51H37F2N5/c1-41-37-49(64(51-19-11-35-62-39-51)47-25-21-44(22-26-47)42-13-5-2-6-14-42)29-31-53(41)56-33-34-57(66(56)46-17-9-4-10-18-46)54-32-30-50(38-55(54)58(59,60)61)65(52-20-12-36-63-40-52)48-27-23-45(24-28-48)43-15-7-3-8-16-43;1-39-35-46(62(48-17-11-33-60-37-48)44-23-19-42(20-24-44)40-13-7-5-8-14-40)27-29-50(39)53-31-32-54(64(53)55(2,3)4)51-30-28-47(36-52(51)56(57,58)59)63(49-18-12-34-61-38-49)45-25-21-43(22-26-45)41-15-9-6-10-16-41;57-51-36-45(61(42-20-10-3-11-21-42)47-28-32-53(59-38-47)40-16-6-1-7-17-40)26-30-49(51)55-34-35-56(63(55)44-24-14-5-15-25-44)50-31-27-46(37-52(50)58)62(43-22-12-4-13-23-43)48-29-33-54(60-39-48)41-18-8-2-9-19-41;1-54(2,3)61-52(46-28-24-42(34-48(46)55)59(40-20-12-6-13-21-40)44-26-30-50(57-36-44)38-16-8-4-9-17-38)32-33-53(61)47-29-25-43(35-49(47)56)60(41-22-14-7-15-23-41)45-27-31-51(58-37-45)39-18-10-5-11-19-39;1-56-50(44-26-22-40(32-46(44)52)57(38-18-10-4-11-19-38)42-24-28-48(54-34-42)36-14-6-2-7-15-36)30-31-51(56)45-27-23-41(33-47(45)53)58(39-20-12-5-13-21-39)43-25-29-49(55-35-43)37-16-8-3-9-17-37/h2-40H,1H3;5-38H,1-4H3;1-39H;4-37H,1-3H3;2-35H,1H3.
What are the key properties of N-[4-[1-tert-butyl-5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N,6-diphenylpyridin-3-amine;N-[4-[1-tert-butyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-methylphenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N,6-diphenylpyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N,6-diphenylpyridin-3-amine;N-[3-methyl-4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine?
N-[4-[1-tert-butyl-5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N,6-diphenylpyridin-3-amine;N-[4-[1-tert-butyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-methylphenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N,6-diphenylpyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N,6-diphenylpyridin-3-amine;N-[3-methyl-4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine has a molecular weight of 4089.83 g/mol, XLogP of 75.94, 52 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-tert-butyl-5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N,6-diphenylpyridin-3-amine;N-[4-[1-tert-butyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-methylphenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N,6-diphenylpyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N,6-diphenylpyridin-3-amine;N-[3-methyl-4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine is sourced from PubChem (CID 158442627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158442627 — identifiers, structure, computed properties (public domain)
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