3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-4-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-5-amine

C449H275F8N21 — CID 160739147

IUPAC3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-4-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-5-amine
SMILESFc1ccccc1N(c1ccc(-c2c3c(c(-c4ccc(N(c5ccc6ccccc6c5)c5ccccn5)cc4)c4ccccc24)-c2cccc4cccc-3c24)cc1)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.Fc1ccccc1N(c1ccc(-c2c3c(c(-c4ccc(N(c5ccc6ccccc6c5)c5ncccc5F)cc4)c4ccccc24)-c2cccc4cccc-3c24)cc1)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.Fc1ccccc1N(c1ccc(-c2c3c(c(-c4ccc(N(c5ccccc5)c5ccncn5)cc4)c4ccccc24)-c2cccc4cccc-3c24)cc1)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.Fc1ccccc1N(c1ccc(-c2c3c(c(-c4ccc(N(c5ccccc5)c5cncnc5)cc4)c4ccccc24)-c2cccc4cccc-3c24)cc1)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.Fc1ccccc1N(c1ccc(-c2c3c(c(-c4ccc(N(c5ccccc5)c5ncccc5F)cc4)c4ccccc24)-c2cccc4cccc-3c24)cc1)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.Fc1ccccc1N(c1ccc(-c2c3c(c(-c4ccc(N(c5ccccc5)c5ncccn5)cc4)c4ccccc24)-c2cccc4cccc-3c24)cc1)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C78H47F2N3.C78H48FN3.C74H45F2N3.3C73H45FN4/c79-67-32-11-12-34-69(67)83(70-35-15-31-66-74(70)60-25-7-10-30-65(60)78(66)63-28-8-5-21-56(63)57-22-6-9-29-64(57)78)54-43-39-51(40-44-54)73-59-24-4-3-23-58(59)72(75-61-26-13-19-49-20-14-27-62(71(49)61)76(73)75)50-37-41-53(42-38-50)82(77-68(80)33-16-46-81-77)55-45-36-48-17-1-2-18-52(48)47-55;79-68-33-11-12-34-69(68)82(70-35-17-32-67-75(70)61-26-7-10-31-66(61)78(67)64-29-8-5-22-57(64)58-23-6-9-30-65(58)78)55-44-40-52(41-45-55)74-60-25-4-3-24-59(60)73(76-62-27-15-20-50-21-16-28-63(72(50)62)77(74)76)51-38-42-54(43-39-51)81(71-36-13-14-47-80-71)56-46-37-49-18-1-2-19-53(49)48-56;75-63-33-12-13-35-65(63)79(66-36-16-32-62-70(66)56-26-8-11-31-61(56)74(62)59-29-9-6-22-52(59)53-23-7-10-30-60(53)74)51-43-39-48(40-44-51)69-55-25-5-4-24-54(55)68(71-57-27-14-18-46-19-15-28-58(67(46)57)72(69)71)47-37-41-50(42-38-47)78(49-20-2-1-3-21-49)73-64(76)34-17-45-77-73;74-63-33-12-13-34-64(63)78(65-35-16-32-62-69(65)56-26-8-11-31-61(56)73(62)59-29-9-6-22-52(59)53-23-7-10-30-60(53)73)51-42-38-48(39-43-51)68-55-25-5-4-24-54(55)67(70-57-27-14-18-46-19-15-28-58(66(46)57)71(68)70)47-36-40-50(41-37-47)77(49-20-2-1-3-21-49)72-75-44-17-45-76-72;74-64-32-12-13-33-65(64)78(66-34-16-31-63-70(66)57-25-8-11-30-62(57)73(63)60-28-9-6-21-53(60)54-22-7-10-29-61(54)73)51-41-37-48(38-42-51)69-56-24-5-4-23-55(56)68(71-58-26-14-17-46-18-15-27-59(67(46)58)72(69)71)47-35-39-50(40-36-47)77(49-19-2-1-3-20-49)52-43-75-45-76-44-52;74-63-32-12-13-33-64(63)78(65-34-16-31-62-70(65)56-25-8-11-30-61(56)73(62)59-28-9-6-21-52(59)53-22-7-10-29-60(53)73)51-41-37-48(38-42-51)69-55-24-5-4-23-54(55)68(71-57-26-14-17-46-18-15-27-58(67(46)57)72(69)71)47-35-39-50(40-36-47)77(49-19-2-1-3-20-49)66-43-44-75-45-76-66/h1-47H;1-48H;1-45H;3*1-45H
InChIKeyRVIOHFTVCBMOEH-UHFFFAOYSA-N
MW6116.27 g/mol
LogP119.52
Rot. Bonds48

About 3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-4-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-5-amine

3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-4-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-5-amine (PubChem CID 160739147) has the molecular formula C449H275F8N21 and a molecular weight of 6116.27 g/mol. Its IUPAC name is 3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-4-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-5-amine.

Molecular Properties

Compound Name3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-4-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-5-amine
PubChem CID160739147
Molecular FormulaC449H275F8N21
Molecular Weight6116.27 g/mol
Exact Mass6111.20
IUPAC Name3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-4-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-5-amine
SMILESFc1ccccc1N(c1ccc(-c2c3c(c(-c4ccc(N(c5ccc6ccccc6c5)c5ccccn5)cc4)c4ccccc24)-c2cccc4cccc-3c24)cc1)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.Fc1ccccc1N(c1ccc(-c2c3c(c(-c4ccc(N(c5ccc6ccccc6c5)c5ncccc5F)cc4)c4ccccc24)-c2cccc4cccc-3c24)cc1)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.Fc1ccccc1N(c1ccc(-c2c3c(c(-c4ccc(N(c5ccccc5)c5ccncn5)cc4)c4ccccc24)-c2cccc4cccc-3c24)cc1)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.Fc1ccccc1N(c1ccc(-c2c3c(c(-c4ccc(N(c5ccccc5)c5cncnc5)cc4)c4ccccc24)-c2cccc4cccc-3c24)cc1)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.Fc1ccccc1N(c1ccc(-c2c3c(c(-c4ccc(N(c5ccccc5)c5ncccc5F)cc4)c4ccccc24)-c2cccc4cccc-3c24)cc1)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.Fc1ccccc1N(c1ccc(-c2c3c(c(-c4ccc(N(c5ccccc5)c5ncccn5)cc4)c4ccccc24)-c2cccc4cccc-3c24)cc1)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C78H47F2N3.C78H48FN3.C74H45F2N3.3C73H45FN4/c79-67-32-11-12-34-69(67)83(70-35-15-31-66-74(70)60-25-7-10-30-65(60)78(66)63-28-8-5-21-56(63)57-22-6-9-29-64(57)78)54-43-39-51(40-44-54)73-59-24-4-3-23-58(59)72(75-61-26-13-19-49-20-14-27-62(71(49)61)76(73)75)50-37-41-53(42-38-50)82(77-68(80)33-16-46-81-77)55-45-36-48-17-1-2-18-52(48)47-55;79-68-33-11-12-34-69(68)82(70-35-17-32-67-75(70)61-26-7-10-31-66(61)78(67)64-29-8-5-22-57(64)58-23-6-9-30-65(58)78)55-44-40-52(41-45-55)74-60-25-4-3-24-59(60)73(76-62-27-15-20-50-21-16-28-63(72(50)62)77(74)76)51-38-42-54(43-39-51)81(71-36-13-14-47-80-71)56-46-37-49-18-1-2-19-53(49)48-56;75-63-33-12-13-35-65(63)79(66-36-16-32-62-70(66)56-26-8-11-31-61(56)74(62)59-29-9-6-22-52(59)53-23-7-10-30-60(53)74)51-43-39-48(40-44-51)69-55-25-5-4-24-54(55)68(71-57-27-14-18-46-19-15-28-58(67(46)57)72(69)71)47-37-41-50(42-38-47)78(49-20-2-1-3-21-49)73-64(76)34-17-45-77-73;74-63-33-12-13-34-64(63)78(65-35-16-32-62-69(65)56-26-8-11-31-61(56)73(62)59-29-9-6-22-52(59)53-23-7-10-30-60(53)73)51-42-38-48(39-43-51)68-55-25-5-4-24-54(55)67(70-57-27-14-18-46-19-15-28-58(66(46)57)71(68)70)47-36-40-50(41-37-47)77(49-20-2-1-3-21-49)72-75-44-17-45-76-72;74-64-32-12-13-33-65(64)78(66-34-16-31-63-70(66)57-25-8-11-30-62(57)73(63)60-28-9-6-21-53(60)54-22-7-10-29-61(54)73)51-41-37-48(38-42-51)69-56-24-5-4-23-55(56)68(71-58-26-14-17-46-18-15-27-59(67(46)58)72(69)71)47-35-39-50(40-36-47)77(49-19-2-1-3-20-49)52-43-75-45-76-44-52;74-63-32-12-13-33-64(63)78(65-34-16-31-62-70(65)56-25-8-11-30-61(56)73(62)59-28-9-6-21-52(59)53-22-7-10-29-60(53)73)51-41-37-48(38-42-51)69-55-24-5-4-23-54(55)68(71-57-26-14-17-46-18-15-27-58(67(46)57)72(69)71)47-35-39-50(40-36-47)77(49-19-2-1-3-20-49)66-43-44-75-45-76-66/h1-47H;1-48H;1-45H;3*1-45H
InChIKeyRVIOHFTVCBMOEH-UHFFFAOYSA-N
XLogP119.52
TPSA154.89 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds48
Heavy Atoms478
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006116.27
LogP ≤ 5119.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-4-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-5-amine with MolForge

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Related Compounds

4-N',5-N-dinaphthalen-2-yl-4-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',5-diamine
CID 168775420
N-(4-naphthalen-2-ylphenyl)-6,9-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 168772166
4-N-phenanthren-2-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915518
3-N',4-N-dinaphthalen-2-yl-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine
CID 134529903
N-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 139355095
N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine;N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 160671954
N-(16-phenyl-5-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 166033003
N-(7,12-dinaphthalen-2-ylbenzo[k]fluoranthen-5-yl)-N-phenyl-1,10-phenanthrolin-2-amine
CID 163512623
2-N'-dibenzofuran-2-yl-4-N-naphthalen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915341
N-[4-[10-[4-(dinaphthalen-1-ylamino)phenyl]anthracen-9-yl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[4-[9-[4-(dinaphthalen-2-ylamino)phenyl]fluoren-9-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-naphthalen-1-yl-N-[4-[10-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anthracen-9-yl]phenyl]naphthalen-2-amine
CID 161106636
N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-2'-amine
CID 134216072
3-N',5-N-dinaphthalen-2-yl-3-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775207

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-4-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-5-amine?
The IUPAC name of 3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-4-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-5-amine (CID 160739147) is 3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-4-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-5-amine.
What is the SMILES notation for 3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-4-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-5-amine?
The canonical SMILES for 3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-4-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-5-amine is Fc1ccccc1N(c1ccc(-c2c3c(c(-c4ccc(N(c5ccc6ccccc6c5)c5ccccn5)cc4)c4ccccc24)-c2cccc4cccc-3c24)cc1)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.Fc1ccccc1N(c1ccc(-c2c3c(c(-c4ccc(N(c5ccc6ccccc6c5)c5ncccc5F)cc4)c4ccccc24)-c2cccc4cccc-3c24)cc1)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.Fc1ccccc1N(c1ccc(-c2c3c(c(-c4ccc(N(c5ccccc5)c5ccncn5)cc4)c4ccccc24)-c2cccc4cccc-3c24)cc1)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.Fc1ccccc1N(c1ccc(-c2c3c(c(-c4ccc(N(c5ccccc5)c5cncnc5)cc4)c4ccccc24)-c2cccc4cccc-3c24)cc1)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.Fc1ccccc1N(c1ccc(-c2c3c(c(-c4ccc(N(c5ccccc5)c5ncccc5F)cc4)c4ccccc24)-c2cccc4cccc-3c24)cc1)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.Fc1ccccc1N(c1ccc(-c2c3c(c(-c4ccc(N(c5ccccc5)c5ncccn5)cc4)c4ccccc24)-c2cccc4cccc-3c24)cc1)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-4-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-5-amine?
The InChIKey is RVIOHFTVCBMOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H47F2N3.C78H48FN3.C74H45F2N3.3C73H45FN4/c79-67-32-11-12-34-69(67)83(70-35-15-31-66-74(70)60-25-7-10-30-65(60)78(66)63-28-8-5-21-56(63)57-22-6-9-29-64(57)78)54-43-39-51(40-44-54)73-59-24-4-3-23-58(59)72(75-61-26-13-19-49-20-14-27-62(71(49)61)76(73)75)50-37-41-53(42-38-50)82(77-68(80)33-16-46-81-77)55-45-36-48-17-1-2-18-52(48)47-55;79-68-33-11-12-34-69(68)82(70-35-17-32-67-75(70)61-26-7-10-31-66(61)78(67)64-29-8-5-22-57(64)58-23-6-9-30-65(58)78)55-44-40-52(41-45-55)74-60-25-4-3-24-59(60)73(76-62-27-15-20-50-21-16-28-63(72(50)62)77(74)76)51-38-42-54(43-39-51)81(71-36-13-14-47-80-71)56-46-37-49-18-1-2-19-53(49)48-56;75-63-33-12-13-35-65(63)79(66-36-16-32-62-70(66)56-26-8-11-31-61(56)74(62)59-29-9-6-22-52(59)53-23-7-10-30-60(53)74)51-43-39-48(40-44-51)69-55-25-5-4-24-54(55)68(71-57-27-14-18-46-19-15-28-58(67(46)57)72(69)71)47-37-41-50(42-38-47)78(49-20-2-1-3-21-49)73-64(76)34-17-45-77-73;74-63-33-12-13-34-64(63)78(65-35-16-32-62-69(65)56-26-8-11-31-61(56)73(62)59-29-9-6-22-52(59)53-23-7-10-30-60(53)73)51-42-38-48(39-43-51)68-55-25-5-4-24-54(55)67(70-57-27-14-18-46-19-15-28-58(66(46)57)71(68)70)47-36-40-50(41-37-47)77(49-20-2-1-3-21-49)72-75-44-17-45-76-72;74-64-32-12-13-33-65(64)78(66-34-16-31-63-70(66)57-25-8-11-30-62(57)73(63)60-28-9-6-21-53(60)54-22-7-10-29-61(54)73)51-41-37-48(38-42-51)69-56-24-5-4-23-55(56)68(71-58-26-14-17-46-18-15-27-59(67(46)58)72(69)71)47-35-39-50(40-36-47)77(49-19-2-1-3-20-49)52-43-75-45-76-44-52;74-63-32-12-13-33-64(63)78(65-34-16-31-62-70(65)56-25-8-11-30-61(56)73(62)59-28-9-6-21-52(59)53-22-7-10-29-60(53)73)51-41-37-48(38-42-51)69-55-24-5-4-23-54(55)68(71-57-26-14-17-46-18-15-27-58(67(46)57)72(69)71)47-35-39-50(40-36-47)77(49-19-2-1-3-20-49)66-43-44-75-45-76-66/h1-47H;1-48H;1-45H;3*1-45H.
What are the key properties of 3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-4-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-5-amine?
3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-4-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-5-amine has a molecular weight of 6116.27 g/mol, XLogP of 119.52, 48 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;3-fluoro-N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-naphthalen-2-ylpyridin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-2-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-4-amine;N-[4-[7-[4-[2-fluoro-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzo[k]fluoranthen-12-yl]phenyl]-N-phenylpyrimidin-5-amine is sourced from PubChem (CID 160739147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).