N-[4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)-6-methylphenyl]anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-6-methylaniline;4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]anilino)-3-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylaniline;N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]anilino)-3-methylphenyl]-2-methyl-N-[2-(4-phenylphenyl)phenyl]aniline

C272H200N6S6 — CID 157469979

IUPACN-[4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)-6-methylphenyl]anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-6-methylaniline;4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]anilino)-3-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylaniline;N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]anilino)-3-methylphenyl]-2-methyl-N-[2-(4-phenylphenyl)phenyl]aniline
SMILESCc1cc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3c(C)cccc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c(C)c2)ccc1N(c1ccc(-c2cccc3c2sc2ccccc23)cc1)c1c(C)cccc1-c1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1cc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccccc3-c3ccc(-c4ccccc4)cc3)c(C)c2)ccc1N(c1ccc(-c2cccc3c2sc2ccccc23)cc1)c1ccccc1-c1ccc(-c2ccccc2)cc1.Cc1cc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccccc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c(C)c2)ccc1N(c1ccc(-c2cccc3c2sc2ccccc23)cc1)c1ccccc1-c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C94H72N2S2.C92H68N2S2.C86H60N2S2/c1-57-21-17-27-69(65-41-49-75-73-23-9-13-33-81(73)93(5,6)83(75)55-65)89(57)95(67-45-37-61(38-46-67)71-29-19-31-79-77-25-11-15-35-87(77)97-91(71)79)85-51-43-63(53-59(85)3)64-44-52-86(60(4)54-64)96(68-47-39-62(40-48-68)72-30-20-32-80-78-26-12-16-36-88(78)98-92(72)80)90-58(2)22-18-28-70(90)66-42-50-76-74-24-10-14-34-82(74)94(7,8)84(76)56-66;1-57-53-61(43-51-83(57)93(65-45-37-59(38-46-65)69-27-19-29-77-75-25-11-17-35-87(75)95-89(69)77)85-33-15-9-21-67(85)63-41-49-73-71-23-7-13-31-79(71)91(3,4)81(73)55-63)62-44-52-84(58(2)54-62)94(66-47-39-60(40-48-66)70-28-20-30-78-76-26-12-18-36-88(76)96-90(70)78)86-34-16-10-22-68(86)64-42-50-74-72-24-8-14-32-80(72)92(5,6)82(74)56-64;1-57-55-67(47-53-79(57)87(81-31-13-9-23-71(81)63-39-35-61(36-40-63)59-19-5-3-6-20-59)69-49-43-65(44-50-69)73-27-17-29-77-75-25-11-15-33-83(75)89-85(73)77)68-48-54-80(58(2)56-68)88(82-32-14-10-24-72(82)64-41-37-62(38-42-64)60-21-7-4-8-22-60)70-51-45-66(46-52-70)74-28-18-30-78-76-26-12-16-34-84(76)90-86(74)78/h9-56H,1-8H3;7-56H,1-6H3;3-56H,1-2H3
InChIKeyBUXNECSXXNATNR-UHFFFAOYSA-N
MW3745.04 g/mol
LogP80.12
Rot. Bonds35

About N-[4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)-6-methylphenyl]anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-6-methylaniline;4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]anilino)-3-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylaniline;N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]anilino)-3-methylphenyl]-2-methyl-N-[2-(4-phenylphenyl)phenyl]aniline

N-[4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)-6-methylphenyl]anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-6-methylaniline;4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]anilino)-3-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylaniline;N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]anilino)-3-methylphenyl]-2-methyl-N-[2-(4-phenylphenyl)phenyl]aniline (PubChem CID 157469979) has the molecular formula C272H200N6S6 and a molecular weight of 3745.04 g/mol. Its IUPAC name is N-[4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)-6-methylphenyl]anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-6-methylaniline;4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]anilino)-3-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylaniline;N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]anilino)-3-methylphenyl]-2-methyl-N-[2-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)-6-methylphenyl]anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-6-methylaniline;4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]anilino)-3-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylaniline;N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]anilino)-3-methylphenyl]-2-methyl-N-[2-(4-phenylphenyl)phenyl]aniline
PubChem CID157469979
Molecular FormulaC272H200N6S6
Molecular Weight3745.04 g/mol
Exact Mass3741.42
IUPAC NameN-[4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)-6-methylphenyl]anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-6-methylaniline;4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]anilino)-3-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylaniline;N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]anilino)-3-methylphenyl]-2-methyl-N-[2-(4-phenylphenyl)phenyl]aniline
SMILESCc1cc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3c(C)cccc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c(C)c2)ccc1N(c1ccc(-c2cccc3c2sc2ccccc23)cc1)c1c(C)cccc1-c1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1cc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccccc3-c3ccc(-c4ccccc4)cc3)c(C)c2)ccc1N(c1ccc(-c2cccc3c2sc2ccccc23)cc1)c1ccccc1-c1ccc(-c2ccccc2)cc1.Cc1cc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccccc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c(C)c2)ccc1N(c1ccc(-c2cccc3c2sc2ccccc23)cc1)c1ccccc1-c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C94H72N2S2.C92H68N2S2.C86H60N2S2/c1-57-21-17-27-69(65-41-49-75-73-23-9-13-33-81(73)93(5,6)83(75)55-65)89(57)95(67-45-37-61(38-46-67)71-29-19-31-79-77-25-11-15-35-87(77)97-91(71)79)85-51-43-63(53-59(85)3)64-44-52-86(60(4)54-64)96(68-47-39-62(40-48-68)72-30-20-32-80-78-26-12-16-36-88(78)98-92(72)80)90-58(2)22-18-28-70(90)66-42-50-76-74-24-10-14-34-82(74)94(7,8)84(76)56-66;1-57-53-61(43-51-83(57)93(65-45-37-59(38-46-65)69-27-19-29-77-75-25-11-17-35-87(75)95-89(69)77)85-33-15-9-21-67(85)63-41-49-73-71-23-7-13-31-79(71)91(3,4)81(73)55-63)62-44-52-84(58(2)54-62)94(66-47-39-60(40-48-66)70-28-20-30-78-76-26-12-18-36-88(76)96-90(70)78)86-34-16-10-22-68(86)64-42-50-74-72-24-8-14-32-80(72)92(5,6)82(74)56-64;1-57-55-67(47-53-79(57)87(81-31-13-9-23-71(81)63-39-35-61(36-40-63)59-19-5-3-6-20-59)69-49-43-65(44-50-69)73-27-17-29-77-75-25-11-15-33-83(75)89-85(73)77)68-48-54-80(58(2)56-68)88(82-32-14-10-24-72(82)64-41-37-62(38-42-64)60-21-7-4-8-22-60)70-51-45-66(46-52-70)74-28-18-30-78-76-26-12-16-34-84(76)90-86(74)78/h9-56H,1-8H3;7-56H,1-6H3;3-56H,1-2H3
InChIKeyBUXNECSXXNATNR-UHFFFAOYSA-N
XLogP80.12
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds35
Heavy Atoms284
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003745.04
LogP ≤ 580.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze N-[4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)-6-methylphenyl]anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-6-methylaniline;4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]anilino)-3-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylaniline;N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]anilino)-3-methylphenyl]-2-methyl-N-[2-(4-phenylphenyl)phenyl]aniline with MolForge

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Related Compounds

N-[4-[4-[N,2-bis(9,9-dimethylfluoren-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-amine;N-[4-[4-[N-dibenzothiophen-2-yl-2-(9,9-dimethylfluoren-2-yl)-6-methylanilino]-3-methylphenyl]-2-methylphenyl]-N-[2-(9,9-dimethylfluoren-2-yl)-6-methylphenyl]dibenzothiophen-2-amine;N-[4-[4-[N-dibenzothiophen-4-yl-2-(9,9-dimethylfluoren-2-yl)-6-methylanilino]-3-methylphenyl]-2-methylphenyl]-N-[2-(9,9-dimethylfluoren-2-yl)-6-methylphenyl]dibenzothiophen-4-amine;N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-[N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)anilino]-3-methylphenyl]-2-methyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 159587808
N-[4-[4-(2-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-methylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)-9,9-dimethylfluoren-2-amine
CID 121323257
N-[4-[4-[4-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethylphenyl)anilino]-3-methylphenyl]-2-methylphenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-dimethylaniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-[4-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)anilino]-3-methylphenyl]-2-methyl-N-(2-phenylphenyl)aniline;N-[4-[4-(N-(2,6-dimethylphenyl)-4-triphenylen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-2,6-dimethyl-N-(4-triphenylen-2-ylphenyl)aniline;N-[4-[4-(N-(2,6-diphenylphenyl)-4-triphenylen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-2,6-diphenyl-N-(4-triphenylen-2-ylphenyl)aniline
CID 157141008
N-[4-[4-(4-dibenzothiophen-4-yl-N-(2,6-dimethylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2,6-dimethylaniline;ethane;ethene
CID 144761421
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]-7-phenylfluoren-2-amine
CID 67964472
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 70808719
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964214
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 118193740
2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(4-phenylphenyl)anilino]-3-methylphenyl]-2-methylphenyl]-6-methyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121323372
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160975238
2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(9,9-diphenylfluoren-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-methylaniline
CID 121323378
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 122675301

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)-6-methylphenyl]anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-6-methylaniline;4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]anilino)-3-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylaniline;N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]anilino)-3-methylphenyl]-2-methyl-N-[2-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)-6-methylphenyl]anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-6-methylaniline;4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]anilino)-3-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylaniline;N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]anilino)-3-methylphenyl]-2-methyl-N-[2-(4-phenylphenyl)phenyl]aniline (CID 157469979) is N-[4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)-6-methylphenyl]anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-6-methylaniline;4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]anilino)-3-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylaniline;N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]anilino)-3-methylphenyl]-2-methyl-N-[2-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)-6-methylphenyl]anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-6-methylaniline;4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]anilino)-3-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylaniline;N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]anilino)-3-methylphenyl]-2-methyl-N-[2-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)-6-methylphenyl]anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-6-methylaniline;4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]anilino)-3-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylaniline;N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]anilino)-3-methylphenyl]-2-methyl-N-[2-(4-phenylphenyl)phenyl]aniline is Cc1cc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3c(C)cccc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c(C)c2)ccc1N(c1ccc(-c2cccc3c2sc2ccccc23)cc1)c1c(C)cccc1-c1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1cc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccccc3-c3ccc(-c4ccccc4)cc3)c(C)c2)ccc1N(c1ccc(-c2cccc3c2sc2ccccc23)cc1)c1ccccc1-c1ccc(-c2ccccc2)cc1.Cc1cc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccccc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c(C)c2)ccc1N(c1ccc(-c2cccc3c2sc2ccccc23)cc1)c1ccccc1-c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of N-[4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)-6-methylphenyl]anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-6-methylaniline;4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]anilino)-3-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylaniline;N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]anilino)-3-methylphenyl]-2-methyl-N-[2-(4-phenylphenyl)phenyl]aniline?
The InChIKey is BUXNECSXXNATNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H72N2S2.C92H68N2S2.C86H60N2S2/c1-57-21-17-27-69(65-41-49-75-73-23-9-13-33-81(73)93(5,6)83(75)55-65)89(57)95(67-45-37-61(38-46-67)71-29-19-31-79-77-25-11-15-35-87(77)97-91(71)79)85-51-43-63(53-59(85)3)64-44-52-86(60(4)54-64)96(68-47-39-62(40-48-68)72-30-20-32-80-78-26-12-16-36-88(78)98-92(72)80)90-58(2)22-18-28-70(90)66-42-50-76-74-24-10-14-34-82(74)94(7,8)84(76)56-66;1-57-53-61(43-51-83(57)93(65-45-37-59(38-46-65)69-27-19-29-77-75-25-11-17-35-87(75)95-89(69)77)85-33-15-9-21-67(85)63-41-49-73-71-23-7-13-31-79(71)91(3,4)81(73)55-63)62-44-52-84(58(2)54-62)94(66-47-39-60(40-48-66)70-28-20-30-78-76-26-12-18-36-88(76)96-90(70)78)86-34-16-10-22-68(86)64-42-50-74-72-24-8-14-32-80(72)92(5,6)82(74)56-64;1-57-55-67(47-53-79(57)87(81-31-13-9-23-71(81)63-39-35-61(36-40-63)59-19-5-3-6-20-59)69-49-43-65(44-50-69)73-27-17-29-77-75-25-11-15-33-83(75)89-85(73)77)68-48-54-80(58(2)56-68)88(82-32-14-10-24-72(82)64-41-37-62(38-42-64)60-21-7-4-8-22-60)70-51-45-66(46-52-70)74-28-18-30-78-76-26-12-16-34-84(76)90-86(74)78/h9-56H,1-8H3;7-56H,1-6H3;3-56H,1-2H3.
What are the key properties of N-[4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)-6-methylphenyl]anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-6-methylaniline;4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]anilino)-3-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylaniline;N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]anilino)-3-methylphenyl]-2-methyl-N-[2-(4-phenylphenyl)phenyl]aniline?
N-[4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)-6-methylphenyl]anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-6-methylaniline;4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]anilino)-3-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylaniline;N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]anilino)-3-methylphenyl]-2-methyl-N-[2-(4-phenylphenyl)phenyl]aniline has a molecular weight of 3745.04 g/mol, XLogP of 80.12, 35 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)-6-methylphenyl]anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-6-methylaniline;4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]anilino)-3-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylaniline;N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]anilino)-3-methylphenyl]-2-methyl-N-[2-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 157469979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).