4-[dibenzofuran-4-yl-[7-(N-dibenzofuran-4-yl-4-isocyanoanilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]amino]benzonitrile;4-[dibenzofuran-4-yl-[7-(N-dibenzofuran-4-yl-4-isocyanoanilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]amino]benzonitrile;2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-fluorophenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-fluorophenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine

C292H164F4N12O8 — CID 157456941

IUPAC4-[dibenzofuran-4-yl-[7-(N-dibenzofuran-4-yl-4-isocyanoanilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]amino]benzonitrile;4-[dibenzofuran-4-yl-[7-(N-dibenzofuran-4-yl-4-isocyanoanilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]amino]benzonitrile;2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-fluorophenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-fluorophenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine
SMILESFc1ccc(N(c2ccc3c(c2)C2(c4cc(N(c5ccc(F)cc5)c5cccc6c5oc5ccccc56)ccc4-3)c3ccccc3-c3c2cc2c4c(cccc34)-c3ccccc3-2)c2cccc3c2oc2ccccc23)cc1.Fc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4cc5c6ccccc6c6ccccc6c5cc42)c2cc(N(c4ccc(F)cc4)c4cccc5c4oc4ccccc45)ccc2-3)c2cccc3c2oc2ccccc23)cc1.[C-]#[N+]c1ccc(N(c2ccc3c(c2)C2(c4cc(N(c5ccc(C#N)cc5)c5cccc6c5oc5ccccc56)ccc4-3)c3ccccc3-c3c2cc2c4c(cccc34)-c3ccccc3-2)c2cccc3c2oc2ccccc23)cc1.[C-]#[N+]c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4cc5c6ccccc6c6ccccc6c5cc42)c2cc(N(c4ccc(C#N)cc4)c4cccc5c4oc4ccccc45)ccc2-3)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C75H42N4O2.C73H42F2N2O2.C73H40N4O2.C71H40F2N2O2/c1-77-46-30-34-48(35-31-46)79(70-25-13-22-61-59-20-8-11-27-72(59)81-74(61)70)50-37-39-57-56-38-36-49(78(47-32-28-45(44-76)29-33-47)69-24-12-21-60-58-19-7-10-26-71(58)80-73(60)69)40-66(56)75(67(57)41-50)65-23-9-6-18-55(65)64-42-62-53-16-4-2-14-51(53)52-15-3-5-17-54(52)63(62)43-68(64)75;74-43-27-31-45(32-28-43)76(67-23-11-20-58-56-18-6-9-25-69(56)78-71(58)67)47-35-37-54-55-38-36-48(77(46-33-29-44(75)30-34-46)68-24-12-21-59-57-19-7-10-26-70(57)79-72(59)68)40-65(55)73(64(54)39-47)63-22-8-5-17-53(63)62-41-60-51-15-3-1-13-49(51)50-14-2-4-16-52(50)61(60)42-66(62)73;1-75-44-29-33-46(34-30-44)77(66-24-12-20-57-54-16-6-9-26-68(54)79-72(57)66)48-36-38-52-51-37-35-47(76(45-31-27-43(42-74)28-32-45)65-23-11-19-56-53-15-5-8-25-67(53)78-71(56)65)39-62(51)73(63(52)40-48)61-22-7-4-17-58(61)70-59-21-10-18-55-49-13-2-3-14-50(49)60(69(55)59)41-64(70)73;72-41-26-30-43(31-27-41)74(63-22-10-18-54-51-14-4-7-24-65(51)76-69(54)63)45-34-36-49-50-37-35-46(75(44-32-28-42(73)29-33-44)64-23-11-19-55-52-15-5-8-25-66(52)77-70(55)64)39-61(50)71(60(49)38-45)59-21-6-3-16-56(59)68-57-20-9-17-53-47-12-1-2-13-48(47)58(67(53)57)40-62(68)71/h2-43H;1-42H;2-41H;1-40H
InChIKeyBTLXOQFWBCKHQG-UHFFFAOYSA-N
MW4044.59 g/mol
LogP81.00
Rot. Bonds24

About 4-[dibenzofuran-4-yl-[7-(N-dibenzofuran-4-yl-4-isocyanoanilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]amino]benzonitrile;4-[dibenzofuran-4-yl-[7-(N-dibenzofuran-4-yl-4-isocyanoanilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]amino]benzonitrile;2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-fluorophenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-fluorophenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine

4-[dibenzofuran-4-yl-[7-(N-dibenzofuran-4-yl-4-isocyanoanilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]amino]benzonitrile;4-[dibenzofuran-4-yl-[7-(N-dibenzofuran-4-yl-4-isocyanoanilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]amino]benzonitrile;2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-fluorophenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-fluorophenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine (PubChem CID 157456941) has the molecular formula C292H164F4N12O8 and a molecular weight of 4044.59 g/mol. Its IUPAC name is 4-[dibenzofuran-4-yl-[7-(N-dibenzofuran-4-yl-4-isocyanoanilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]amino]benzonitrile;4-[dibenzofuran-4-yl-[7-(N-dibenzofuran-4-yl-4-isocyanoanilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]amino]benzonitrile;2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-fluorophenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-fluorophenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine.

Molecular Properties

Compound Name4-[dibenzofuran-4-yl-[7-(N-dibenzofuran-4-yl-4-isocyanoanilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]amino]benzonitrile;4-[dibenzofuran-4-yl-[7-(N-dibenzofuran-4-yl-4-isocyanoanilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]amino]benzonitrile;2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-fluorophenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-fluorophenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine
PubChem CID157456941
Molecular FormulaC292H164F4N12O8
Molecular Weight4044.59 g/mol
Exact Mass4041.27
IUPAC Name4-[dibenzofuran-4-yl-[7-(N-dibenzofuran-4-yl-4-isocyanoanilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]amino]benzonitrile;4-[dibenzofuran-4-yl-[7-(N-dibenzofuran-4-yl-4-isocyanoanilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]amino]benzonitrile;2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-fluorophenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-fluorophenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine
SMILESFc1ccc(N(c2ccc3c(c2)C2(c4cc(N(c5ccc(F)cc5)c5cccc6c5oc5ccccc56)ccc4-3)c3ccccc3-c3c2cc2c4c(cccc34)-c3ccccc3-2)c2cccc3c2oc2ccccc23)cc1.Fc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4cc5c6ccccc6c6ccccc6c5cc42)c2cc(N(c4ccc(F)cc4)c4cccc5c4oc4ccccc45)ccc2-3)c2cccc3c2oc2ccccc23)cc1.[C-]#[N+]c1ccc(N(c2ccc3c(c2)C2(c4cc(N(c5ccc(C#N)cc5)c5cccc6c5oc5ccccc56)ccc4-3)c3ccccc3-c3c2cc2c4c(cccc34)-c3ccccc3-2)c2cccc3c2oc2ccccc23)cc1.[C-]#[N+]c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4cc5c6ccccc6c6ccccc6c5cc42)c2cc(N(c4ccc(C#N)cc4)c4cccc5c4oc4ccccc45)ccc2-3)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C75H42N4O2.C73H42F2N2O2.C73H40N4O2.C71H40F2N2O2/c1-77-46-30-34-48(35-31-46)79(70-25-13-22-61-59-20-8-11-27-72(59)81-74(61)70)50-37-39-57-56-38-36-49(78(47-32-28-45(44-76)29-33-47)69-24-12-21-60-58-19-7-10-26-71(58)80-73(60)69)40-66(56)75(67(57)41-50)65-23-9-6-18-55(65)64-42-62-53-16-4-2-14-51(53)52-15-3-5-17-54(52)63(62)43-68(64)75;74-43-27-31-45(32-28-43)76(67-23-11-20-58-56-18-6-9-25-69(56)78-71(58)67)47-35-37-54-55-38-36-48(77(46-33-29-44(75)30-34-46)68-24-12-21-59-57-19-7-10-26-70(57)79-72(59)68)40-65(55)73(64(54)39-47)63-22-8-5-17-53(63)62-41-60-51-15-3-1-13-49(51)50-14-2-4-16-52(50)61(60)42-66(62)73;1-75-44-29-33-46(34-30-44)77(66-24-12-20-57-54-16-6-9-26-68(54)79-72(57)66)48-36-38-52-51-37-35-47(76(45-31-27-43(42-74)28-32-45)65-23-11-19-56-53-15-5-8-25-67(53)78-71(56)65)39-62(51)73(63(52)40-48)61-22-7-4-17-58(61)70-59-21-10-18-55-49-13-2-3-14-50(49)60(69(55)59)41-64(70)73;72-41-26-30-43(31-27-41)74(63-22-10-18-54-51-14-4-7-24-65(51)76-69(54)63)45-34-36-49-50-37-35-46(75(44-32-28-42(73)29-33-44)64-23-11-19-55-52-15-5-8-25-66(52)77-70(55)64)39-61(50)71(60(49)38-45)59-21-6-3-16-56(59)68-57-20-9-17-53-47-12-1-2-13-48(47)58(67(53)57)40-62(68)71/h2-43H;1-42H;2-41H;1-40H
InChIKeyBTLXOQFWBCKHQG-UHFFFAOYSA-N
XLogP81.00
TPSA187.34 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms316
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004044.59
LogP ≤ 581.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 4-[dibenzofuran-4-yl-[7-(N-dibenzofuran-4-yl-4-isocyanoanilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]amino]benzonitrile;4-[dibenzofuran-4-yl-[7-(N-dibenzofuran-4-yl-4-isocyanoanilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]amino]benzonitrile;2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-fluorophenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-fluorophenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine with MolForge

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Related Compounds

4-[[7-(4-cyano-N-dibenzofuran-4-ylanilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]-dibenzofuran-4-ylamino]benzonitrile
CID 126712541
2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]anilino)benzonitrile;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]anilino)benzonitrile
CID 159300484
4-(N-[7'-(N-(4-isocyanophenyl)anilino)spiro[4-oxahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(23),2(14),3(11),5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]-2'-yl]anilino)benzonitrile
CID 155646509
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[benzo[a]phenalene-7,9'-fluorene]-9-amine;4-(N-[3-(N-(4-isocyanophenyl)anilino)spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl]anilino)benzonitrile;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yldibenzofuran-4-amine
CID 164960100
4-(N-[7-(4-isocyano-N-(4-trimethylsilylphenyl)anilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]-4-trimethylsilylanilino)benzonitrile
CID 140873246
4-N-dibenzofuran-4-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915337
2-N,2-N'-di(dibenzofuran-4-yl)-2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 172539045
N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yldibenzofuran-4-amine
CID 164960101
4-N-dibenzofuran-4-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine;2-N'-(9,9-dimethylfluoren-2-yl)-2-N',4-N,4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 161205657
4-[dibenzofuran-4-yl-[10-(N-dibenzofuran-4-yl-4-isocyanoanilino)naphtho[2,1-b][1]benzothiol-5-yl]amino]benzonitrile
CID 123395631
4-[(9,9-diphenylfluoren-2-yl)-[4-[4-(N-(9,9-diphenylfluoren-2-yl)-4-isocyanoanilino)phenyl]naphthalen-1-yl]amino]benzonitrile;N-[4-[4-(N-(9,9-diphenylfluoren-2-yl)-4-fluoroanilino)naphthalen-1-yl]phenyl]-N-(4-fluorophenyl)-9,9-diphenylfluoren-2-amine;N-[4-[4-(N-(9,9-diphenylfluoren-2-yl)-4-methylanilino)naphthalen-1-yl]phenyl]-N-(4-methylphenyl)-9,9-diphenylfluoren-2-amine;N-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylamino]naphthalen-1-yl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine
CID 158388851
N-(2-dibenzofuran-4-ylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309054

Frequently Asked Questions

What is the IUPAC name of 4-[dibenzofuran-4-yl-[7-(N-dibenzofuran-4-yl-4-isocyanoanilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]amino]benzonitrile;4-[dibenzofuran-4-yl-[7-(N-dibenzofuran-4-yl-4-isocyanoanilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]amino]benzonitrile;2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-fluorophenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-fluorophenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine?
The IUPAC name of 4-[dibenzofuran-4-yl-[7-(N-dibenzofuran-4-yl-4-isocyanoanilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]amino]benzonitrile;4-[dibenzofuran-4-yl-[7-(N-dibenzofuran-4-yl-4-isocyanoanilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]amino]benzonitrile;2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-fluorophenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-fluorophenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine (CID 157456941) is 4-[dibenzofuran-4-yl-[7-(N-dibenzofuran-4-yl-4-isocyanoanilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]amino]benzonitrile;4-[dibenzofuran-4-yl-[7-(N-dibenzofuran-4-yl-4-isocyanoanilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]amino]benzonitrile;2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-fluorophenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-fluorophenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine.
What is the SMILES notation for 4-[dibenzofuran-4-yl-[7-(N-dibenzofuran-4-yl-4-isocyanoanilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]amino]benzonitrile;4-[dibenzofuran-4-yl-[7-(N-dibenzofuran-4-yl-4-isocyanoanilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]amino]benzonitrile;2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-fluorophenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-fluorophenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine?
The canonical SMILES for 4-[dibenzofuran-4-yl-[7-(N-dibenzofuran-4-yl-4-isocyanoanilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]amino]benzonitrile;4-[dibenzofuran-4-yl-[7-(N-dibenzofuran-4-yl-4-isocyanoanilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]amino]benzonitrile;2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-fluorophenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-fluorophenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine is Fc1ccc(N(c2ccc3c(c2)C2(c4cc(N(c5ccc(F)cc5)c5cccc6c5oc5ccccc56)ccc4-3)c3ccccc3-c3c2cc2c4c(cccc34)-c3ccccc3-2)c2cccc3c2oc2ccccc23)cc1.Fc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4cc5c6ccccc6c6ccccc6c5cc42)c2cc(N(c4ccc(F)cc4)c4cccc5c4oc4ccccc45)ccc2-3)c2cccc3c2oc2ccccc23)cc1.[C-]#[N+]c1ccc(N(c2ccc3c(c2)C2(c4cc(N(c5ccc(C#N)cc5)c5cccc6c5oc5ccccc56)ccc4-3)c3ccccc3-c3c2cc2c4c(cccc34)-c3ccccc3-2)c2cccc3c2oc2ccccc23)cc1.[C-]#[N+]c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4cc5c6ccccc6c6ccccc6c5cc42)c2cc(N(c4ccc(C#N)cc4)c4cccc5c4oc4ccccc45)ccc2-3)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 4-[dibenzofuran-4-yl-[7-(N-dibenzofuran-4-yl-4-isocyanoanilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]amino]benzonitrile;4-[dibenzofuran-4-yl-[7-(N-dibenzofuran-4-yl-4-isocyanoanilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]amino]benzonitrile;2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-fluorophenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-fluorophenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine?
The InChIKey is BTLXOQFWBCKHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H42N4O2.C73H42F2N2O2.C73H40N4O2.C71H40F2N2O2/c1-77-46-30-34-48(35-31-46)79(70-25-13-22-61-59-20-8-11-27-72(59)81-74(61)70)50-37-39-57-56-38-36-49(78(47-32-28-45(44-76)29-33-47)69-24-12-21-60-58-19-7-10-26-71(58)80-73(60)69)40-66(56)75(67(57)41-50)65-23-9-6-18-55(65)64-42-62-53-16-4-2-14-51(53)52-15-3-5-17-54(52)63(62)43-68(64)75;74-43-27-31-45(32-28-43)76(67-23-11-20-58-56-18-6-9-25-69(56)78-71(58)67)47-35-37-54-55-38-36-48(77(46-33-29-44(75)30-34-46)68-24-12-21-59-57-19-7-10-26-70(57)79-72(59)68)40-65(55)73(64(54)39-47)63-22-8-5-17-53(63)62-41-60-51-15-3-1-13-49(51)50-14-2-4-16-52(50)61(60)42-66(62)73;1-75-44-29-33-46(34-30-44)77(66-24-12-20-57-54-16-6-9-26-68(54)79-72(57)66)48-36-38-52-51-37-35-47(76(45-31-27-43(42-74)28-32-45)65-23-11-19-56-53-15-5-8-25-67(53)78-71(56)65)39-62(51)73(63(52)40-48)61-22-7-4-17-58(61)70-59-21-10-18-55-49-13-2-3-14-50(49)60(69(55)59)41-64(70)73;72-41-26-30-43(31-27-41)74(63-22-10-18-54-51-14-4-7-24-65(51)76-69(54)63)45-34-36-49-50-37-35-46(75(44-32-28-42(73)29-33-44)64-23-11-19-55-52-15-5-8-25-66(52)77-70(55)64)39-61(50)71(60(49)38-45)59-21-6-3-16-56(59)68-57-20-9-17-53-47-12-1-2-13-48(47)58(67(53)57)40-62(68)71/h2-43H;1-42H;2-41H;1-40H.
What are the key properties of 4-[dibenzofuran-4-yl-[7-(N-dibenzofuran-4-yl-4-isocyanoanilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]amino]benzonitrile;4-[dibenzofuran-4-yl-[7-(N-dibenzofuran-4-yl-4-isocyanoanilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]amino]benzonitrile;2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-fluorophenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-fluorophenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine?
4-[dibenzofuran-4-yl-[7-(N-dibenzofuran-4-yl-4-isocyanoanilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]amino]benzonitrile;4-[dibenzofuran-4-yl-[7-(N-dibenzofuran-4-yl-4-isocyanoanilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]amino]benzonitrile;2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-fluorophenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-fluorophenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine has a molecular weight of 4044.59 g/mol, XLogP of 81.00, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dibenzofuran-4-yl-[7-(N-dibenzofuran-4-yl-4-isocyanoanilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]amino]benzonitrile;4-[dibenzofuran-4-yl-[7-(N-dibenzofuran-4-yl-4-isocyanoanilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]amino]benzonitrile;2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-fluorophenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-fluorophenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine is sourced from PubChem (CID 157456941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).