N-(3-tert-butyl-4-dibenzofuran-2-ylphenyl)-1-[7-(N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)dibenzothiophen-4-yl]-N-phenyldibenzothiophen-3-amine;N-(3-tert-butylphenyl)-8-[4-(N-(4-dibenzofuran-2-ylphenyl)anilino)dibenzothiophen-1-yl]-N-(3-ethenylphenyl)dibenzofuran-4-amine;N-[8-[1-(N-(4-dibenzothiophen-2-ylphenyl)anilino)dibenzothiophen-2-yl]dibenzothiophen-2-yl]-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-2-[6-(N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]anilino)dibenzothiophen-4-yl]dibenzothiophen-3-amine

C306H203N9O3S9 — CID 167682340

IUPACN-(3-tert-butyl-4-dibenzofuran-2-ylphenyl)-1-[7-(N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)dibenzothiophen-4-yl]-N-phenyldibenzothiophen-3-amine;N-(3-tert-butylphenyl)-8-[4-(N-(4-dibenzofuran-2-ylphenyl)anilino)dibenzothiophen-1-yl]-N-(3-ethenylphenyl)dibenzofuran-4-amine;N-[8-[1-(N-(4-dibenzothiophen-2-ylphenyl)anilino)dibenzothiophen-2-yl]dibenzothiophen-2-yl]-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-2-[6-(N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]anilino)dibenzothiophen-4-yl]dibenzothiophen-3-amine
SMILESC=Cc1cccc(N(c2cccc(C(C)(C)C)c2)c2cccc3c2oc2ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c5sc6ccccc6c45)cc23)c1.[2H]c1c([2H])c([2H])c(-c2cccc(N(c3ccccc3)c3ccc4c(c3)sc3c(-c5cc(N(c6ccccc6)c6ccc(-c7ccc8oc9ccccc9c8c7)c(C(C)(C)C)c6)cc6sc7ccccc7c56)cccc34)c2)c([2H])c1[2H].c1ccc(N(c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c2cc3sc4ccccc4c3cc2-c2cccc3c2sc2c(N(c4ccccc4)c4cccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)c4)cccc23)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3N(c3ccccc3)c3ccccc32)c2ccc3sc4ccc(-c5ccc6sc7ccccc7c6c5N(c5ccccc5)c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)cc4c3c2)cc1
InChIInChI=1S/C85H53N3S3.C85H52N2S3.C70H50N2OS2.C66H48N2O2S/c1-4-20-57(21-5-1)86(62-42-44-65-64-26-10-13-29-71(64)85(74(65)53-62)72-30-14-16-32-75(72)88(59-24-8-3-9-25-59)76-33-17-15-31-73(76)85)61-43-48-81-70(52-61)69-51-56(39-47-80(69)90-81)63-45-49-82-83(67-28-12-19-35-78(67)91-82)84(63)87(58-22-6-2-7-23-58)60-40-36-54(37-41-60)55-38-46-79-68(50-55)66-27-11-18-34-77(66)89-79;1-3-21-57(22-4-1)86(59-44-40-53(41-45-59)55-43-47-81-71(50-55)64-29-10-15-38-79(64)88-81)78-52-82-72(65-30-11-16-39-80(65)89-82)51-70(78)68-32-18-31-66-67-33-19-37-77(84(67)90-83(66)68)87(58-23-5-2-6-24-58)60-25-17-20-54(48-60)56-42-46-76-69(49-56)63-28-9-14-36-75(63)85(76)73-34-12-7-26-61(73)62-27-8-13-35-74(62)85;1-70(2,3)62-42-51(34-36-54(62)47-33-38-64-60(40-47)55-27-13-15-31-63(55)73-64)72(49-24-11-6-12-25-49)53-41-61(68-59-28-14-16-32-65(59)74-67(68)44-53)58-30-18-29-57-56-37-35-52(43-66(56)75-69(57)58)71(48-22-9-5-10-23-48)50-26-17-21-46(39-50)45-19-7-4-8-20-45;1-5-42-16-13-20-49(38-42)68(50-21-14-17-46(41-50)66(2,3)4)57-25-15-24-53-56-40-45(31-37-61(56)70-64(53)57)51-34-35-58(65-63(51)54-23-10-12-27-62(54)71-65)67(47-18-7-6-8-19-47)48-32-28-43(29-33-48)44-30-36-60-55(39-44)52-22-9-11-26-59(52)69-60/h1-53H;1-52H;4-44H,1-3H3;5-41H,1H2,2-4H3/i;;4D,7D,8D,19D,20D;
InChIKeyVSLJYQQAVCDZGJ-RRFXUDHASA-N
MW4347.68 g/mol
LogP91.91
Rot. Bonds36

About N-(3-tert-butyl-4-dibenzofuran-2-ylphenyl)-1-[7-(N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)dibenzothiophen-4-yl]-N-phenyldibenzothiophen-3-amine;N-(3-tert-butylphenyl)-8-[4-(N-(4-dibenzofuran-2-ylphenyl)anilino)dibenzothiophen-1-yl]-N-(3-ethenylphenyl)dibenzofuran-4-amine;N-[8-[1-(N-(4-dibenzothiophen-2-ylphenyl)anilino)dibenzothiophen-2-yl]dibenzothiophen-2-yl]-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-2-[6-(N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]anilino)dibenzothiophen-4-yl]dibenzothiophen-3-amine

N-(3-tert-butyl-4-dibenzofuran-2-ylphenyl)-1-[7-(N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)dibenzothiophen-4-yl]-N-phenyldibenzothiophen-3-amine;N-(3-tert-butylphenyl)-8-[4-(N-(4-dibenzofuran-2-ylphenyl)anilino)dibenzothiophen-1-yl]-N-(3-ethenylphenyl)dibenzofuran-4-amine;N-[8-[1-(N-(4-dibenzothiophen-2-ylphenyl)anilino)dibenzothiophen-2-yl]dibenzothiophen-2-yl]-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-2-[6-(N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]anilino)dibenzothiophen-4-yl]dibenzothiophen-3-amine (PubChem CID 167682340) has the molecular formula C306H203N9O3S9 and a molecular weight of 4347.68 g/mol. Its IUPAC name is N-(3-tert-butyl-4-dibenzofuran-2-ylphenyl)-1-[7-(N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)dibenzothiophen-4-yl]-N-phenyldibenzothiophen-3-amine;N-(3-tert-butylphenyl)-8-[4-(N-(4-dibenzofuran-2-ylphenyl)anilino)dibenzothiophen-1-yl]-N-(3-ethenylphenyl)dibenzofuran-4-amine;N-[8-[1-(N-(4-dibenzothiophen-2-ylphenyl)anilino)dibenzothiophen-2-yl]dibenzothiophen-2-yl]-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-2-[6-(N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]anilino)dibenzothiophen-4-yl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(3-tert-butyl-4-dibenzofuran-2-ylphenyl)-1-[7-(N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)dibenzothiophen-4-yl]-N-phenyldibenzothiophen-3-amine;N-(3-tert-butylphenyl)-8-[4-(N-(4-dibenzofuran-2-ylphenyl)anilino)dibenzothiophen-1-yl]-N-(3-ethenylphenyl)dibenzofuran-4-amine;N-[8-[1-(N-(4-dibenzothiophen-2-ylphenyl)anilino)dibenzothiophen-2-yl]dibenzothiophen-2-yl]-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-2-[6-(N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]anilino)dibenzothiophen-4-yl]dibenzothiophen-3-amine
PubChem CID167682340
Molecular FormulaC306H203N9O3S9
Molecular Weight4347.68 g/mol
Exact Mass4343.38
IUPAC NameN-(3-tert-butyl-4-dibenzofuran-2-ylphenyl)-1-[7-(N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)dibenzothiophen-4-yl]-N-phenyldibenzothiophen-3-amine;N-(3-tert-butylphenyl)-8-[4-(N-(4-dibenzofuran-2-ylphenyl)anilino)dibenzothiophen-1-yl]-N-(3-ethenylphenyl)dibenzofuran-4-amine;N-[8-[1-(N-(4-dibenzothiophen-2-ylphenyl)anilino)dibenzothiophen-2-yl]dibenzothiophen-2-yl]-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-2-[6-(N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]anilino)dibenzothiophen-4-yl]dibenzothiophen-3-amine
SMILESC=Cc1cccc(N(c2cccc(C(C)(C)C)c2)c2cccc3c2oc2ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c5sc6ccccc6c45)cc23)c1.[2H]c1c([2H])c([2H])c(-c2cccc(N(c3ccccc3)c3ccc4c(c3)sc3c(-c5cc(N(c6ccccc6)c6ccc(-c7ccc8oc9ccccc9c8c7)c(C(C)(C)C)c6)cc6sc7ccccc7c56)cccc34)c2)c([2H])c1[2H].c1ccc(N(c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c2cc3sc4ccccc4c3cc2-c2cccc3c2sc2c(N(c4ccccc4)c4cccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)c4)cccc23)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3N(c3ccccc3)c3ccccc32)c2ccc3sc4ccc(-c5ccc6sc7ccccc7c6c5N(c5ccccc5)c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)cc4c3c2)cc1
InChIInChI=1S/C85H53N3S3.C85H52N2S3.C70H50N2OS2.C66H48N2O2S/c1-4-20-57(21-5-1)86(62-42-44-65-64-26-10-13-29-71(64)85(74(65)53-62)72-30-14-16-32-75(72)88(59-24-8-3-9-25-59)76-33-17-15-31-73(76)85)61-43-48-81-70(52-61)69-51-56(39-47-80(69)90-81)63-45-49-82-83(67-28-12-19-35-78(67)91-82)84(63)87(58-22-6-2-7-23-58)60-40-36-54(37-41-60)55-38-46-79-68(50-55)66-27-11-18-34-77(66)89-79;1-3-21-57(22-4-1)86(59-44-40-53(41-45-59)55-43-47-81-71(50-55)64-29-10-15-38-79(64)88-81)78-52-82-72(65-30-11-16-39-80(65)89-82)51-70(78)68-32-18-31-66-67-33-19-37-77(84(67)90-83(66)68)87(58-23-5-2-6-24-58)60-25-17-20-54(48-60)56-42-46-76-69(49-56)63-28-9-14-36-75(63)85(76)73-34-12-7-26-61(73)62-27-8-13-35-74(62)85;1-70(2,3)62-42-51(34-36-54(62)47-33-38-64-60(40-47)55-27-13-15-31-63(55)73-64)72(49-24-11-6-12-25-49)53-41-61(68-59-28-14-16-32-65(59)74-67(68)44-53)58-30-18-29-57-56-37-35-52(43-66(56)75-69(57)58)71(48-22-9-5-10-23-48)50-26-17-21-46(39-50)45-19-7-4-8-20-45;1-5-42-16-13-20-49(38-42)68(50-21-14-17-46(41-50)66(2,3)4)57-25-15-24-53-56-40-45(31-37-61(56)70-64(53)57)51-34-35-58(65-63(51)54-23-10-12-27-62(54)71-65)67(47-18-7-6-8-19-47)48-32-28-43(29-33-48)44-30-36-60-55(39-44)52-22-9-11-26-59(52)69-60/h1-53H;1-52H;4-44H,1-3H3;5-41H,1H2,2-4H3/i;;4D,7D,8D,19D,20D;
InChIKeyVSLJYQQAVCDZGJ-RRFXUDHASA-N
XLogP91.91
TPSA68.58 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds36
Heavy Atoms327
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004347.68
LogP ≤ 591.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze N-(3-tert-butyl-4-dibenzofuran-2-ylphenyl)-1-[7-(N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)dibenzothiophen-4-yl]-N-phenyldibenzothiophen-3-amine;N-(3-tert-butylphenyl)-8-[4-(N-(4-dibenzofuran-2-ylphenyl)anilino)dibenzothiophen-1-yl]-N-(3-ethenylphenyl)dibenzofuran-4-amine;N-[8-[1-(N-(4-dibenzothiophen-2-ylphenyl)anilino)dibenzothiophen-2-yl]dibenzothiophen-2-yl]-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-2-[6-(N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]anilino)dibenzothiophen-4-yl]dibenzothiophen-3-amine with MolForge

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Related Compounds

N,10-diphenyl-N-[3-[6-(N-phenylanilino)dibenzofuran-2-yl]phenyl]spiro[acridine-9,9'-fluorene]-3'-amine;N,10-diphenyl-N-[6-[9-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-2-yl]spiro[acridine-9,9'-fluorene]-3-amine;methane;N-phenyl-N-[4-[9-(N-phenylanilino)dibenzofuran-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine;N-phenyl-N-[4-[6-(N-phenylanilino)dibenzothiophen-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine;N-phenyl-N-[4-[8-(N-phenylanilino)dibenzothiophen-3-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4-amine;N-phenyl-N-[8-[4-(N-phenylanilino)naphthalen-1-yl]dibenzothiophen-2-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine;N-phenyl-7-[4-(N-phenylanilino)naphthalen-1-yl]-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine
CID 159834770
N,10-diphenyl-N-[3-[6-(N-phenylanilino)dibenzofuran-2-yl]phenyl]spiro[acridine-9,9'-fluorene]-3'-amine;N-phenyl-N-[4-[8-(N-phenylanilino)dibenzothiophen-3-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4-amine;N-phenyl-N-[8-[4-(N-phenylanilino)naphthalen-1-yl]dibenzothiophen-2-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine
CID 158704633
N,10-diphenyl-N-[6-[9-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-2-yl]spiro[acridine-9,9'-fluorene]-3-amine;N-phenyl-N-[4-[9-(N-phenylanilino)dibenzofuran-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine;N-phenyl-7-[4-(N-phenylanilino)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-3-amine
CID 159384046
2-N-dibenzofuran-4-yl-7-N-naphthalen-1-yl-2-N-naphthalen-2-yl-7-N-[3-(N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-[3-(N-(3-dibenzothiophen-4-ylphenyl)anilino)phenyl]-7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine
CID 157346259
N-(2-dibenzofuran-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-(2-dibenzofuran-4-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-(2-dibenzothiophen-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-(2-dibenzothiophen-4-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 160775781
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(3-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(2-dibenzofuran-2-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(3-dibenzothiophen-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(2-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(3-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159801227
N,N-bis(4-dibenzofuran-4-ylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-8-phenyl-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzothiophen-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-2-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzothiophen-4-amine
CID 158897463
1-N-dibenzofuran-3-yl-5-dibenzothiophen-2-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-di(dibenzofuran-3-yl)-5-dibenzothiophen-2-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-di(dibenzofuran-2-yl)-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-5-(4-phenyldibenzothiophen-2-yl)benzene-1,3-diamine
CID 158012265
N-(3-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(2-dibenzothiophen-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 159645825
3-N-[2-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-6-N,6-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,6-diamine;6-N-dibenzothiophen-3-yl-3-N,9-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-6-N-(4-phenylphenyl)dibenzothiophene-3,6-diamine
CID 161050530
N-(2-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(2-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 157394349
N-dibenzofuran-3-yl-N-naphthalen-1-yl-6-[4-(N-phenylanilino)phenyl]dibenzofuran-3-amine;3-N-dibenzofuran-2-yl-6-N-naphthalen-1-yl-6-N-phenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,6-diamine;6-N-(9,9-dimethylfluoren-2-yl)-3-N,6-N-diphenyl-3-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophene-3,6-diamine
CID 157254590

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-4-dibenzofuran-2-ylphenyl)-1-[7-(N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)dibenzothiophen-4-yl]-N-phenyldibenzothiophen-3-amine;N-(3-tert-butylphenyl)-8-[4-(N-(4-dibenzofuran-2-ylphenyl)anilino)dibenzothiophen-1-yl]-N-(3-ethenylphenyl)dibenzofuran-4-amine;N-[8-[1-(N-(4-dibenzothiophen-2-ylphenyl)anilino)dibenzothiophen-2-yl]dibenzothiophen-2-yl]-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-2-[6-(N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]anilino)dibenzothiophen-4-yl]dibenzothiophen-3-amine?
The IUPAC name of N-(3-tert-butyl-4-dibenzofuran-2-ylphenyl)-1-[7-(N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)dibenzothiophen-4-yl]-N-phenyldibenzothiophen-3-amine;N-(3-tert-butylphenyl)-8-[4-(N-(4-dibenzofuran-2-ylphenyl)anilino)dibenzothiophen-1-yl]-N-(3-ethenylphenyl)dibenzofuran-4-amine;N-[8-[1-(N-(4-dibenzothiophen-2-ylphenyl)anilino)dibenzothiophen-2-yl]dibenzothiophen-2-yl]-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-2-[6-(N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]anilino)dibenzothiophen-4-yl]dibenzothiophen-3-amine (CID 167682340) is N-(3-tert-butyl-4-dibenzofuran-2-ylphenyl)-1-[7-(N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)dibenzothiophen-4-yl]-N-phenyldibenzothiophen-3-amine;N-(3-tert-butylphenyl)-8-[4-(N-(4-dibenzofuran-2-ylphenyl)anilino)dibenzothiophen-1-yl]-N-(3-ethenylphenyl)dibenzofuran-4-amine;N-[8-[1-(N-(4-dibenzothiophen-2-ylphenyl)anilino)dibenzothiophen-2-yl]dibenzothiophen-2-yl]-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-2-[6-(N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]anilino)dibenzothiophen-4-yl]dibenzothiophen-3-amine.
What is the SMILES notation for N-(3-tert-butyl-4-dibenzofuran-2-ylphenyl)-1-[7-(N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)dibenzothiophen-4-yl]-N-phenyldibenzothiophen-3-amine;N-(3-tert-butylphenyl)-8-[4-(N-(4-dibenzofuran-2-ylphenyl)anilino)dibenzothiophen-1-yl]-N-(3-ethenylphenyl)dibenzofuran-4-amine;N-[8-[1-(N-(4-dibenzothiophen-2-ylphenyl)anilino)dibenzothiophen-2-yl]dibenzothiophen-2-yl]-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-2-[6-(N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]anilino)dibenzothiophen-4-yl]dibenzothiophen-3-amine?
The canonical SMILES for N-(3-tert-butyl-4-dibenzofuran-2-ylphenyl)-1-[7-(N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)dibenzothiophen-4-yl]-N-phenyldibenzothiophen-3-amine;N-(3-tert-butylphenyl)-8-[4-(N-(4-dibenzofuran-2-ylphenyl)anilino)dibenzothiophen-1-yl]-N-(3-ethenylphenyl)dibenzofuran-4-amine;N-[8-[1-(N-(4-dibenzothiophen-2-ylphenyl)anilino)dibenzothiophen-2-yl]dibenzothiophen-2-yl]-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-2-[6-(N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]anilino)dibenzothiophen-4-yl]dibenzothiophen-3-amine is C=Cc1cccc(N(c2cccc(C(C)(C)C)c2)c2cccc3c2oc2ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c5sc6ccccc6c45)cc23)c1.[2H]c1c([2H])c([2H])c(-c2cccc(N(c3ccccc3)c3ccc4c(c3)sc3c(-c5cc(N(c6ccccc6)c6ccc(-c7ccc8oc9ccccc9c8c7)c(C(C)(C)C)c6)cc6sc7ccccc7c56)cccc34)c2)c([2H])c1[2H].c1ccc(N(c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c2cc3sc4ccccc4c3cc2-c2cccc3c2sc2c(N(c4ccccc4)c4cccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)c4)cccc23)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3N(c3ccccc3)c3ccccc32)c2ccc3sc4ccc(-c5ccc6sc7ccccc7c6c5N(c5ccccc5)c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)cc4c3c2)cc1.
What is the InChIKey of N-(3-tert-butyl-4-dibenzofuran-2-ylphenyl)-1-[7-(N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)dibenzothiophen-4-yl]-N-phenyldibenzothiophen-3-amine;N-(3-tert-butylphenyl)-8-[4-(N-(4-dibenzofuran-2-ylphenyl)anilino)dibenzothiophen-1-yl]-N-(3-ethenylphenyl)dibenzofuran-4-amine;N-[8-[1-(N-(4-dibenzothiophen-2-ylphenyl)anilino)dibenzothiophen-2-yl]dibenzothiophen-2-yl]-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-2-[6-(N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]anilino)dibenzothiophen-4-yl]dibenzothiophen-3-amine?
The InChIKey is VSLJYQQAVCDZGJ-RRFXUDHASA-N. The full InChI is InChI=1S/C85H53N3S3.C85H52N2S3.C70H50N2OS2.C66H48N2O2S/c1-4-20-57(21-5-1)86(62-42-44-65-64-26-10-13-29-71(64)85(74(65)53-62)72-30-14-16-32-75(72)88(59-24-8-3-9-25-59)76-33-17-15-31-73(76)85)61-43-48-81-70(52-61)69-51-56(39-47-80(69)90-81)63-45-49-82-83(67-28-12-19-35-78(67)91-82)84(63)87(58-22-6-2-7-23-58)60-40-36-54(37-41-60)55-38-46-79-68(50-55)66-27-11-18-34-77(66)89-79;1-3-21-57(22-4-1)86(59-44-40-53(41-45-59)55-43-47-81-71(50-55)64-29-10-15-38-79(64)88-81)78-52-82-72(65-30-11-16-39-80(65)89-82)51-70(78)68-32-18-31-66-67-33-19-37-77(84(67)90-83(66)68)87(58-23-5-2-6-24-58)60-25-17-20-54(48-60)56-42-46-76-69(49-56)63-28-9-14-36-75(63)85(76)73-34-12-7-26-61(73)62-27-8-13-35-74(62)85;1-70(2,3)62-42-51(34-36-54(62)47-33-38-64-60(40-47)55-27-13-15-31-63(55)73-64)72(49-24-11-6-12-25-49)53-41-61(68-59-28-14-16-32-65(59)74-67(68)44-53)58-30-18-29-57-56-37-35-52(43-66(56)75-69(57)58)71(48-22-9-5-10-23-48)50-26-17-21-46(39-50)45-19-7-4-8-20-45;1-5-42-16-13-20-49(38-42)68(50-21-14-17-46(41-50)66(2,3)4)57-25-15-24-53-56-40-45(31-37-61(56)70-64(53)57)51-34-35-58(65-63(51)54-23-10-12-27-62(54)71-65)67(47-18-7-6-8-19-47)48-32-28-43(29-33-48)44-30-36-60-55(39-44)52-22-9-11-26-59(52)69-60/h1-53H;1-52H;4-44H,1-3H3;5-41H,1H2,2-4H3/i;;4D,7D,8D,19D,20D;.
What are the key properties of N-(3-tert-butyl-4-dibenzofuran-2-ylphenyl)-1-[7-(N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)dibenzothiophen-4-yl]-N-phenyldibenzothiophen-3-amine;N-(3-tert-butylphenyl)-8-[4-(N-(4-dibenzofuran-2-ylphenyl)anilino)dibenzothiophen-1-yl]-N-(3-ethenylphenyl)dibenzofuran-4-amine;N-[8-[1-(N-(4-dibenzothiophen-2-ylphenyl)anilino)dibenzothiophen-2-yl]dibenzothiophen-2-yl]-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-2-[6-(N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]anilino)dibenzothiophen-4-yl]dibenzothiophen-3-amine?
N-(3-tert-butyl-4-dibenzofuran-2-ylphenyl)-1-[7-(N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)dibenzothiophen-4-yl]-N-phenyldibenzothiophen-3-amine;N-(3-tert-butylphenyl)-8-[4-(N-(4-dibenzofuran-2-ylphenyl)anilino)dibenzothiophen-1-yl]-N-(3-ethenylphenyl)dibenzofuran-4-amine;N-[8-[1-(N-(4-dibenzothiophen-2-ylphenyl)anilino)dibenzothiophen-2-yl]dibenzothiophen-2-yl]-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-2-[6-(N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]anilino)dibenzothiophen-4-yl]dibenzothiophen-3-amine has a molecular weight of 4347.68 g/mol, XLogP of 91.91, 36 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-4-dibenzofuran-2-ylphenyl)-1-[7-(N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)dibenzothiophen-4-yl]-N-phenyldibenzothiophen-3-amine;N-(3-tert-butylphenyl)-8-[4-(N-(4-dibenzofuran-2-ylphenyl)anilino)dibenzothiophen-1-yl]-N-(3-ethenylphenyl)dibenzofuran-4-amine;N-[8-[1-(N-(4-dibenzothiophen-2-ylphenyl)anilino)dibenzothiophen-2-yl]dibenzothiophen-2-yl]-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-2-[6-(N-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]anilino)dibenzothiophen-4-yl]dibenzothiophen-3-amine is sourced from PubChem (CID 167682340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).