3-[4-(N-[4-dibenzofuran-2-yl-3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]anilino)phenyl]-2-N,2-N,8-N,8-N-tetraphenyldibenzothiophene-2,8-diamine;4-[3-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-3-N-naphthalen-1-yl-3-N,7-N-diphenyl-7-N-spiro[fluorene-9,9'-xanthene]-4'-yldibenzofuran-3,7-diamine;8-N-(3-dibenzothiophen-1-ylphenyl)-1-[6-(N-(5-dibenzothiophen-2-yl-3-phenylnaphthalen-1-yl)anilino)naphthalen-1-yl]-2-N,2-N,8-N-triphenyldibenzofuran-2,8-diamine

C278H181N9O5S3 — CID 167620862

IUPAC3-[4-(N-[4-dibenzofuran-2-yl-3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]anilino)phenyl]-2-N,2-N,8-N,8-N-tetraphenyldibenzothiophene-2,8-diamine;4-[3-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-3-N-naphthalen-1-yl-3-N,7-N-diphenyl-7-N-spiro[fluorene-9,9'-xanthene]-4'-yldibenzofuran-3,7-diamine;8-N-(3-dibenzothiophen-1-ylphenyl)-1-[6-(N-(5-dibenzothiophen-2-yl-3-phenylnaphthalen-1-yl)anilino)naphthalen-1-yl]-2-N,2-N,8-N-triphenyldibenzofuran-2,8-diamine
SMILESc1ccc(-c2cc(N(c3ccccc3)c3ccc4c(-c5c(N(c6ccccc6)c6ccccc6)ccc6oc7ccc(N(c8ccccc8)c8cccc(-c9cccc%10sc%11ccccc%11c9%10)c8)cc7c56)cccc4c3)c3cccc(-c4ccc5sc6ccccc6c5c4)c3c2)cc1.c1ccc(N(c2ccc(-c3cc4sc5ccc(N(c6ccccc6)c6ccccc6)cc5c4cc3N(c3ccccc3)c3ccccc3)cc2)c2ccc(-c3ccc4oc5ccccc5c4c3)c(-c3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)c2)cc1.c1ccc(N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2cccc(-c3c(N(c4ccccc4)c4cccc5ccccc45)ccc4c3oc3cc(N(c5ccccc5)c5cccc6c5Oc5ccccc5C65c6ccccc6-c6ccccc65)ccc34)c2)cc1
InChIInChI=1S/C97H65N3OS.C92H59N3OS2.C89H57N3O3/c1-8-29-71(30-9-1)97(72-31-10-2-11-32-72)90-45-24-22-43-82(90)83-55-49-68(61-91(83)97)67-27-26-28-69(59-67)85-62-79(53-56-81(85)70-50-57-94-87(60-70)84-44-23-25-46-93(84)101-94)99(75-37-16-5-17-38-75)78-51-47-66(48-52-78)86-65-96-89(64-92(86)100(76-39-18-6-19-40-76)77-41-20-7-21-42-77)88-63-80(54-58-95(88)102-96)98(73-33-12-3-13-34-73)74-35-14-4-15-36-74;1-6-24-60(25-7-1)64-57-79-72(63-46-53-88-80(56-63)76-37-16-18-43-86(76)97-88)39-22-41-75(79)83(58-64)95(68-34-14-5-15-35-68)70-47-49-73-61(54-70)27-21-42-77(73)91-82(94(66-30-10-3-11-31-66)67-32-12-4-13-33-67)50-52-85-92(91)81-59-71(48-51-84(81)96-85)93(65-28-8-2-9-29-65)69-36-20-26-62(55-69)74-40-23-45-89-90(74)78-38-17-19-44-87(78)98-89;1-4-26-62(27-5-1)90(65-48-45-58(46-49-65)60-47-54-83-74(56-60)71-36-14-18-43-82(71)93-83)66-32-20-25-61(55-66)86-80(92(64-30-8-3-9-31-64)79-41-21-24-59-23-10-11-33-68(59)79)53-52-73-72-51-50-67(57-85(72)95-87(73)86)91(63-28-6-2-7-29-63)81-42-22-40-78-88(81)94-84-44-19-17-39-77(84)89(78)75-37-15-12-34-69(75)70-35-13-16-38-76(70)89/h1-65H;1-59H;1-57H
InChIKeyMKLZDYTWWMMOPJ-UHFFFAOYSA-N
MW3823.76 g/mol
LogP79.95
Rot. Bonds39

About 3-[4-(N-[4-dibenzofuran-2-yl-3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]anilino)phenyl]-2-N,2-N,8-N,8-N-tetraphenyldibenzothiophene-2,8-diamine;4-[3-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-3-N-naphthalen-1-yl-3-N,7-N-diphenyl-7-N-spiro[fluorene-9,9'-xanthene]-4'-yldibenzofuran-3,7-diamine;8-N-(3-dibenzothiophen-1-ylphenyl)-1-[6-(N-(5-dibenzothiophen-2-yl-3-phenylnaphthalen-1-yl)anilino)naphthalen-1-yl]-2-N,2-N,8-N-triphenyldibenzofuran-2,8-diamine

3-[4-(N-[4-dibenzofuran-2-yl-3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]anilino)phenyl]-2-N,2-N,8-N,8-N-tetraphenyldibenzothiophene-2,8-diamine;4-[3-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-3-N-naphthalen-1-yl-3-N,7-N-diphenyl-7-N-spiro[fluorene-9,9'-xanthene]-4'-yldibenzofuran-3,7-diamine;8-N-(3-dibenzothiophen-1-ylphenyl)-1-[6-(N-(5-dibenzothiophen-2-yl-3-phenylnaphthalen-1-yl)anilino)naphthalen-1-yl]-2-N,2-N,8-N-triphenyldibenzofuran-2,8-diamine (PubChem CID 167620862) has the molecular formula C278H181N9O5S3 and a molecular weight of 3823.76 g/mol. Its IUPAC name is 3-[4-(N-[4-dibenzofuran-2-yl-3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]anilino)phenyl]-2-N,2-N,8-N,8-N-tetraphenyldibenzothiophene-2,8-diamine;4-[3-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-3-N-naphthalen-1-yl-3-N,7-N-diphenyl-7-N-spiro[fluorene-9,9'-xanthene]-4'-yldibenzofuran-3,7-diamine;8-N-(3-dibenzothiophen-1-ylphenyl)-1-[6-(N-(5-dibenzothiophen-2-yl-3-phenylnaphthalen-1-yl)anilino)naphthalen-1-yl]-2-N,2-N,8-N-triphenyldibenzofuran-2,8-diamine.

Molecular Properties

Compound Name3-[4-(N-[4-dibenzofuran-2-yl-3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]anilino)phenyl]-2-N,2-N,8-N,8-N-tetraphenyldibenzothiophene-2,8-diamine;4-[3-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-3-N-naphthalen-1-yl-3-N,7-N-diphenyl-7-N-spiro[fluorene-9,9'-xanthene]-4'-yldibenzofuran-3,7-diamine;8-N-(3-dibenzothiophen-1-ylphenyl)-1-[6-(N-(5-dibenzothiophen-2-yl-3-phenylnaphthalen-1-yl)anilino)naphthalen-1-yl]-2-N,2-N,8-N-triphenyldibenzofuran-2,8-diamine
PubChem CID167620862
Molecular FormulaC278H181N9O5S3
Molecular Weight3823.76 g/mol
Exact Mass3820.33
IUPAC Name3-[4-(N-[4-dibenzofuran-2-yl-3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]anilino)phenyl]-2-N,2-N,8-N,8-N-tetraphenyldibenzothiophene-2,8-diamine;4-[3-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-3-N-naphthalen-1-yl-3-N,7-N-diphenyl-7-N-spiro[fluorene-9,9'-xanthene]-4'-yldibenzofuran-3,7-diamine;8-N-(3-dibenzothiophen-1-ylphenyl)-1-[6-(N-(5-dibenzothiophen-2-yl-3-phenylnaphthalen-1-yl)anilino)naphthalen-1-yl]-2-N,2-N,8-N-triphenyldibenzofuran-2,8-diamine
SMILESc1ccc(-c2cc(N(c3ccccc3)c3ccc4c(-c5c(N(c6ccccc6)c6ccccc6)ccc6oc7ccc(N(c8ccccc8)c8cccc(-c9cccc%10sc%11ccccc%11c9%10)c8)cc7c56)cccc4c3)c3cccc(-c4ccc5sc6ccccc6c5c4)c3c2)cc1.c1ccc(N(c2ccc(-c3cc4sc5ccc(N(c6ccccc6)c6ccccc6)cc5c4cc3N(c3ccccc3)c3ccccc3)cc2)c2ccc(-c3ccc4oc5ccccc5c4c3)c(-c3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)c2)cc1.c1ccc(N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2cccc(-c3c(N(c4ccccc4)c4cccc5ccccc45)ccc4c3oc3cc(N(c5ccccc5)c5cccc6c5Oc5ccccc5C65c6ccccc6-c6ccccc65)ccc34)c2)cc1
InChIInChI=1S/C97H65N3OS.C92H59N3OS2.C89H57N3O3/c1-8-29-71(30-9-1)97(72-31-10-2-11-32-72)90-45-24-22-43-82(90)83-55-49-68(61-91(83)97)67-27-26-28-69(59-67)85-62-79(53-56-81(85)70-50-57-94-87(60-70)84-44-23-25-46-93(84)101-94)99(75-37-16-5-17-38-75)78-51-47-66(48-52-78)86-65-96-89(64-92(86)100(76-39-18-6-19-40-76)77-41-20-7-21-42-77)88-63-80(54-58-95(88)102-96)98(73-33-12-3-13-34-73)74-35-14-4-15-36-74;1-6-24-60(25-7-1)64-57-79-72(63-46-53-88-80(56-63)76-37-16-18-43-86(76)97-88)39-22-41-75(79)83(58-64)95(68-34-14-5-15-35-68)70-47-49-73-61(54-70)27-21-42-77(73)91-82(94(66-30-10-3-11-31-66)67-32-12-4-13-33-67)50-52-85-92(91)81-59-71(48-51-84(81)96-85)93(65-28-8-2-9-29-65)69-36-20-26-62(55-69)74-40-23-45-89-90(74)78-38-17-19-44-87(78)98-89;1-4-26-62(27-5-1)90(65-48-45-58(46-49-65)60-47-54-83-74(56-60)71-36-14-18-43-82(71)93-83)66-32-20-25-61(55-66)86-80(92(64-30-8-3-9-31-64)79-41-21-24-59-23-10-11-33-68(59)79)53-52-73-72-51-50-67(57-85(72)95-87(73)86)91(63-28-6-2-7-29-63)81-42-22-40-78-88(81)94-84-44-19-17-39-77(84)89(78)75-37-15-12-34-69(75)70-35-13-16-38-76(70)89/h1-65H;1-59H;1-57H
InChIKeyMKLZDYTWWMMOPJ-UHFFFAOYSA-N
XLogP79.95
TPSA90.95 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds39
Heavy Atoms295
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003823.76
LogP ≤ 579.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 3-[4-(N-[4-dibenzofuran-2-yl-3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]anilino)phenyl]-2-N,2-N,8-N,8-N-tetraphenyldibenzothiophene-2,8-diamine;4-[3-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-3-N-naphthalen-1-yl-3-N,7-N-diphenyl-7-N-spiro[fluorene-9,9'-xanthene]-4'-yldibenzofuran-3,7-diamine;8-N-(3-dibenzothiophen-1-ylphenyl)-1-[6-(N-(5-dibenzothiophen-2-yl-3-phenylnaphthalen-1-yl)anilino)naphthalen-1-yl]-2-N,2-N,8-N-triphenyldibenzofuran-2,8-diamine with MolForge

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Related Compounds

8-N-(3-dibenzothiophen-1-ylphenyl)-1-[6-(N-[6-(N-(4-dibenzothiophen-2-yl-6-phenylnaphthalen-1-yl)anilino)naphthalen-1-yl]anilino)naphthalen-1-yl]-2-N,2-N,8-N-triphenyldibenzofuran-2,8-diamine
CID 164934364
4-N-dibenzofuran-3-yl-2-dibenzothiophen-2-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;3-N-dibenzofuran-3-yl-5-[4-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;2-dibenzothiophen-2-yl-4-N-dibenzothiophen-3-yl-1-N-(4-naphthalen-1-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 159169915
N-(2,4-diphenylphenyl)-7'-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-4-amine;N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzothiophen-3-amine
CID 158728746
N-(4-dibenzothiophen-2-ylphenyl)-8-[9-(N-phenylanilino)dibenzofuran-3-yl]-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-9-[3-[2-(N-phenylanilino)phenyl]phenyl]dibenzothiophen-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-9-[4-[2-(N-phenylanilino)phenyl]phenyl]dibenzothiophen-3-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-9-[3-[3-[2-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzothiophen-1-amine
CID 167591445
N-dibenzothiophen-2-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine;N-dibenzothiophen-2-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-2-amine;N-dibenzothiophen-2-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-3-amine;N-dibenzothiophen-2-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-4-amine
CID 158892408
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-2-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-2-amine
CID 159461162
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-yldibenzofuran-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 157330942
7-N-dibenzofuran-3-yl-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;7-N-dibenzothiophen-3-yl-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157280557
N-(4-dibenzofuran-2-ylphenyl)-9,9-diphenyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 158243497
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
CID 159160175
2-N-dibenzofuran-3-yl-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenylfluorene-2,7-diamine;2-N-dibenzothiophen-3-yl-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine;7-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;7-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 159611762
N-dibenzofuran-3-yl-N-phenyl-8-(11-phenylbenzo[b]fluoren-11-yl)dibenzofuran-3-amine;7-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-phenyl-N-[9-(9-phenylfluoren-9-yl)dibenzothiophen-4-yl]dibenzofuran-3-amine
CID 163560828

Frequently Asked Questions

What is the IUPAC name of 3-[4-(N-[4-dibenzofuran-2-yl-3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]anilino)phenyl]-2-N,2-N,8-N,8-N-tetraphenyldibenzothiophene-2,8-diamine;4-[3-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-3-N-naphthalen-1-yl-3-N,7-N-diphenyl-7-N-spiro[fluorene-9,9'-xanthene]-4'-yldibenzofuran-3,7-diamine;8-N-(3-dibenzothiophen-1-ylphenyl)-1-[6-(N-(5-dibenzothiophen-2-yl-3-phenylnaphthalen-1-yl)anilino)naphthalen-1-yl]-2-N,2-N,8-N-triphenyldibenzofuran-2,8-diamine?
The IUPAC name of 3-[4-(N-[4-dibenzofuran-2-yl-3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]anilino)phenyl]-2-N,2-N,8-N,8-N-tetraphenyldibenzothiophene-2,8-diamine;4-[3-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-3-N-naphthalen-1-yl-3-N,7-N-diphenyl-7-N-spiro[fluorene-9,9'-xanthene]-4'-yldibenzofuran-3,7-diamine;8-N-(3-dibenzothiophen-1-ylphenyl)-1-[6-(N-(5-dibenzothiophen-2-yl-3-phenylnaphthalen-1-yl)anilino)naphthalen-1-yl]-2-N,2-N,8-N-triphenyldibenzofuran-2,8-diamine (CID 167620862) is 3-[4-(N-[4-dibenzofuran-2-yl-3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]anilino)phenyl]-2-N,2-N,8-N,8-N-tetraphenyldibenzothiophene-2,8-diamine;4-[3-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-3-N-naphthalen-1-yl-3-N,7-N-diphenyl-7-N-spiro[fluorene-9,9'-xanthene]-4'-yldibenzofuran-3,7-diamine;8-N-(3-dibenzothiophen-1-ylphenyl)-1-[6-(N-(5-dibenzothiophen-2-yl-3-phenylnaphthalen-1-yl)anilino)naphthalen-1-yl]-2-N,2-N,8-N-triphenyldibenzofuran-2,8-diamine.
What is the SMILES notation for 3-[4-(N-[4-dibenzofuran-2-yl-3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]anilino)phenyl]-2-N,2-N,8-N,8-N-tetraphenyldibenzothiophene-2,8-diamine;4-[3-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-3-N-naphthalen-1-yl-3-N,7-N-diphenyl-7-N-spiro[fluorene-9,9'-xanthene]-4'-yldibenzofuran-3,7-diamine;8-N-(3-dibenzothiophen-1-ylphenyl)-1-[6-(N-(5-dibenzothiophen-2-yl-3-phenylnaphthalen-1-yl)anilino)naphthalen-1-yl]-2-N,2-N,8-N-triphenyldibenzofuran-2,8-diamine?
The canonical SMILES for 3-[4-(N-[4-dibenzofuran-2-yl-3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]anilino)phenyl]-2-N,2-N,8-N,8-N-tetraphenyldibenzothiophene-2,8-diamine;4-[3-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-3-N-naphthalen-1-yl-3-N,7-N-diphenyl-7-N-spiro[fluorene-9,9'-xanthene]-4'-yldibenzofuran-3,7-diamine;8-N-(3-dibenzothiophen-1-ylphenyl)-1-[6-(N-(5-dibenzothiophen-2-yl-3-phenylnaphthalen-1-yl)anilino)naphthalen-1-yl]-2-N,2-N,8-N-triphenyldibenzofuran-2,8-diamine is c1ccc(-c2cc(N(c3ccccc3)c3ccc4c(-c5c(N(c6ccccc6)c6ccccc6)ccc6oc7ccc(N(c8ccccc8)c8cccc(-c9cccc%10sc%11ccccc%11c9%10)c8)cc7c56)cccc4c3)c3cccc(-c4ccc5sc6ccccc6c5c4)c3c2)cc1.c1ccc(N(c2ccc(-c3cc4sc5ccc(N(c6ccccc6)c6ccccc6)cc5c4cc3N(c3ccccc3)c3ccccc3)cc2)c2ccc(-c3ccc4oc5ccccc5c4c3)c(-c3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)c2)cc1.c1ccc(N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2cccc(-c3c(N(c4ccccc4)c4cccc5ccccc45)ccc4c3oc3cc(N(c5ccccc5)c5cccc6c5Oc5ccccc5C65c6ccccc6-c6ccccc65)ccc34)c2)cc1.
What is the InChIKey of 3-[4-(N-[4-dibenzofuran-2-yl-3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]anilino)phenyl]-2-N,2-N,8-N,8-N-tetraphenyldibenzothiophene-2,8-diamine;4-[3-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-3-N-naphthalen-1-yl-3-N,7-N-diphenyl-7-N-spiro[fluorene-9,9'-xanthene]-4'-yldibenzofuran-3,7-diamine;8-N-(3-dibenzothiophen-1-ylphenyl)-1-[6-(N-(5-dibenzothiophen-2-yl-3-phenylnaphthalen-1-yl)anilino)naphthalen-1-yl]-2-N,2-N,8-N-triphenyldibenzofuran-2,8-diamine?
The InChIKey is MKLZDYTWWMMOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H65N3OS.C92H59N3OS2.C89H57N3O3/c1-8-29-71(30-9-1)97(72-31-10-2-11-32-72)90-45-24-22-43-82(90)83-55-49-68(61-91(83)97)67-27-26-28-69(59-67)85-62-79(53-56-81(85)70-50-57-94-87(60-70)84-44-23-25-46-93(84)101-94)99(75-37-16-5-17-38-75)78-51-47-66(48-52-78)86-65-96-89(64-92(86)100(76-39-18-6-19-40-76)77-41-20-7-21-42-77)88-63-80(54-58-95(88)102-96)98(73-33-12-3-13-34-73)74-35-14-4-15-36-74;1-6-24-60(25-7-1)64-57-79-72(63-46-53-88-80(56-63)76-37-16-18-43-86(76)97-88)39-22-41-75(79)83(58-64)95(68-34-14-5-15-35-68)70-47-49-73-61(54-70)27-21-42-77(73)91-82(94(66-30-10-3-11-31-66)67-32-12-4-13-33-67)50-52-85-92(91)81-59-71(48-51-84(81)96-85)93(65-28-8-2-9-29-65)69-36-20-26-62(55-69)74-40-23-45-89-90(74)78-38-17-19-44-87(78)98-89;1-4-26-62(27-5-1)90(65-48-45-58(46-49-65)60-47-54-83-74(56-60)71-36-14-18-43-82(71)93-83)66-32-20-25-61(55-66)86-80(92(64-30-8-3-9-31-64)79-41-21-24-59-23-10-11-33-68(59)79)53-52-73-72-51-50-67(57-85(72)95-87(73)86)91(63-28-6-2-7-29-63)81-42-22-40-78-88(81)94-84-44-19-17-39-77(84)89(78)75-37-15-12-34-69(75)70-35-13-16-38-76(70)89/h1-65H;1-59H;1-57H.
What are the key properties of 3-[4-(N-[4-dibenzofuran-2-yl-3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]anilino)phenyl]-2-N,2-N,8-N,8-N-tetraphenyldibenzothiophene-2,8-diamine;4-[3-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-3-N-naphthalen-1-yl-3-N,7-N-diphenyl-7-N-spiro[fluorene-9,9'-xanthene]-4'-yldibenzofuran-3,7-diamine;8-N-(3-dibenzothiophen-1-ylphenyl)-1-[6-(N-(5-dibenzothiophen-2-yl-3-phenylnaphthalen-1-yl)anilino)naphthalen-1-yl]-2-N,2-N,8-N-triphenyldibenzofuran-2,8-diamine?
3-[4-(N-[4-dibenzofuran-2-yl-3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]anilino)phenyl]-2-N,2-N,8-N,8-N-tetraphenyldibenzothiophene-2,8-diamine;4-[3-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-3-N-naphthalen-1-yl-3-N,7-N-diphenyl-7-N-spiro[fluorene-9,9'-xanthene]-4'-yldibenzofuran-3,7-diamine;8-N-(3-dibenzothiophen-1-ylphenyl)-1-[6-(N-(5-dibenzothiophen-2-yl-3-phenylnaphthalen-1-yl)anilino)naphthalen-1-yl]-2-N,2-N,8-N-triphenyldibenzofuran-2,8-diamine has a molecular weight of 3823.76 g/mol, XLogP of 79.95, 39 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(N-[4-dibenzofuran-2-yl-3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]anilino)phenyl]-2-N,2-N,8-N,8-N-tetraphenyldibenzothiophene-2,8-diamine;4-[3-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-3-N-naphthalen-1-yl-3-N,7-N-diphenyl-7-N-spiro[fluorene-9,9'-xanthene]-4'-yldibenzofuran-3,7-diamine;8-N-(3-dibenzothiophen-1-ylphenyl)-1-[6-(N-(5-dibenzothiophen-2-yl-3-phenylnaphthalen-1-yl)anilino)naphthalen-1-yl]-2-N,2-N,8-N-triphenyldibenzofuran-2,8-diamine is sourced from PubChem (CID 167620862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).