3-cyclohexa-1,3-dien-1-yl-4-dibenzothiophen-4-yl-N-(4-phenylphenyl)-N-[(1E,3E)-4-(4-phenylphenyl)hexa-1,3,5-trienyl]aniline;3-cyclohexa-1,3-dien-1-yl-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-phenylphenyl)aniline;4-dibenzofuran-4-yl-3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-N-(4-phenylphenyl)aniline;3,4-diphenyl-N-[(1E,3E)-4-(4-phenylcyclohexa-1,5-dien-1-yl)hexa-1,3,5-trienyl]-N-[4-(4-phenylphenyl)phenyl]aniline;4-naphthalen-1-yl-3-phenyl-N-[4-[(1E,3E)-4-phenylhexa-1,3,5-trienyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline

C336H258N8OS — CID 157073700

IUPAC3-cyclohexa-1,3-dien-1-yl-4-dibenzothiophen-4-yl-N-(4-phenylphenyl)-N-[(1E,3E)-4-(4-phenylphenyl)hexa-1,3,5-trienyl]aniline;3-cyclohexa-1,3-dien-1-yl-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-phenylphenyl)aniline;4-dibenzofuran-4-yl-3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-N-(4-phenylphenyl)aniline;3,4-diphenyl-N-[(1E,3E)-4-(4-phenylcyclohexa-1,5-dien-1-yl)hexa-1,3,5-trienyl]-N-[4-(4-phenylphenyl)phenyl]aniline;4-naphthalen-1-yl-3-phenyl-N-[4-[(1E,3E)-4-phenylhexa-1,3,5-trienyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline
SMILESC1=CCCC(c2cc(N(c3ccc(C4=CCC(c5ccccc5)C=C4)cc3)c3ccc(-c4ccccc4)cc3)ccc2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)=C1.C=C/C(=C\C=C\N(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1ccc(-c2ccccc2)c(-c2ccccc2)c1)C1=CCC(c2ccccc2)C=C1.C=C/C(=C\C=C\N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2cccc3c2sc2ccccc23)c(C2=CC=CCC2)c1)c1ccc(-c2ccccc2)cc1.C=C/C(=C\C=C\c1ccc(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccc(-c3cccc4ccccc34)c(-c3ccccc3)c2)cc1)c1ccccc1.C=CC(C/C=C/c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc4c3ccn4-c3ccccc3)c(-c3ccccc3)c2)cc1)c1ccccc1.C=CC(C/C=C/c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc4c3oc3ccccc34)c(-c3ccccc3)c2)cc1)c1ccccc1
InChIInChI=1S/C60H46N2.C58H43N.C56H44N2.C54H41NO.C54H41NS.C54H43N/c1-5-15-43(16-6-1)45-25-27-46(28-26-45)48-31-36-53(37-32-48)61(52-34-29-47(30-35-52)44-17-7-2-8-18-44)54-38-39-55(57(42-54)49-19-9-3-10-20-49)50-33-40-60-58(41-50)56-23-13-14-24-59(56)62(60)51-21-11-4-12-22-51;1-2-44(45-17-6-3-7-18-45)24-14-16-43-28-36-52(37-29-43)59(53-38-34-49(35-39-53)48-32-30-47(31-33-48)46-19-8-4-9-20-46)54-40-41-57(58(42-54)51-21-10-5-11-22-51)56-27-15-25-50-23-12-13-26-55(50)56;1-2-43(44-18-7-3-8-19-44)24-15-17-42-29-33-49(34-30-42)58(50-35-31-46(32-36-50)45-20-9-4-10-21-45)51-37-38-53(55(41-51)47-22-11-5-12-23-47)52-27-16-28-56-54(52)39-40-57(56)48-25-13-6-14-26-48;1-2-40(41-17-6-3-7-18-41)23-14-16-39-28-32-45(33-29-39)55(46-34-30-43(31-35-46)42-19-8-4-9-20-42)47-36-37-48(52(38-47)44-21-10-5-11-22-44)50-25-15-26-51-49-24-12-13-27-53(49)56-54(50)51;1-2-39(42-27-29-43(30-28-42)40-16-6-3-7-17-40)22-15-37-55(46-33-31-44(32-34-46)41-18-8-4-9-19-41)47-35-36-48(52(38-47)45-20-10-5-11-21-45)50-24-14-25-51-49-23-12-13-26-53(49)56-54(50)51;1-2-41(44-25-27-45(28-26-44)42-16-7-3-8-17-42)24-15-39-55(51-35-33-48(34-36-51)47-31-29-46(30-32-47)43-18-9-4-10-19-43)52-37-38-53(49-20-11-5-12-21-49)54(40-52)50-22-13-6-14-23-50/h1-9,11-19,21-25,27-42,45H,10,20,26H2;2-42H,1H2;2-23,25-41,43H,1,24H2;2-22,24-38,40H,1,23H2;2-10,12-20,22-38H,1,11,21H2;2-27,29-40,45H,1,28H2/b;16-14+,44-24+;17-15+;16-14+;37-15+,39-22+;39-15+,41-24+
InChIKeyACSMYUPCUHSZGG-YIZZCWDUSA-N
MW4455.88 g/mol
LogP94.11
Rot. Bonds64

About 3-cyclohexa-1,3-dien-1-yl-4-dibenzothiophen-4-yl-N-(4-phenylphenyl)-N-[(1E,3E)-4-(4-phenylphenyl)hexa-1,3,5-trienyl]aniline;3-cyclohexa-1,3-dien-1-yl-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-phenylphenyl)aniline;4-dibenzofuran-4-yl-3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-N-(4-phenylphenyl)aniline;3,4-diphenyl-N-[(1E,3E)-4-(4-phenylcyclohexa-1,5-dien-1-yl)hexa-1,3,5-trienyl]-N-[4-(4-phenylphenyl)phenyl]aniline;4-naphthalen-1-yl-3-phenyl-N-[4-[(1E,3E)-4-phenylhexa-1,3,5-trienyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline

3-cyclohexa-1,3-dien-1-yl-4-dibenzothiophen-4-yl-N-(4-phenylphenyl)-N-[(1E,3E)-4-(4-phenylphenyl)hexa-1,3,5-trienyl]aniline;3-cyclohexa-1,3-dien-1-yl-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-phenylphenyl)aniline;4-dibenzofuran-4-yl-3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-N-(4-phenylphenyl)aniline;3,4-diphenyl-N-[(1E,3E)-4-(4-phenylcyclohexa-1,5-dien-1-yl)hexa-1,3,5-trienyl]-N-[4-(4-phenylphenyl)phenyl]aniline;4-naphthalen-1-yl-3-phenyl-N-[4-[(1E,3E)-4-phenylhexa-1,3,5-trienyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline (PubChem CID 157073700) has the molecular formula C336H258N8OS and a molecular weight of 4455.88 g/mol. Its IUPAC name is 3-cyclohexa-1,3-dien-1-yl-4-dibenzothiophen-4-yl-N-(4-phenylphenyl)-N-[(1E,3E)-4-(4-phenylphenyl)hexa-1,3,5-trienyl]aniline;3-cyclohexa-1,3-dien-1-yl-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-phenylphenyl)aniline;4-dibenzofuran-4-yl-3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-N-(4-phenylphenyl)aniline;3,4-diphenyl-N-[(1E,3E)-4-(4-phenylcyclohexa-1,5-dien-1-yl)hexa-1,3,5-trienyl]-N-[4-(4-phenylphenyl)phenyl]aniline;4-naphthalen-1-yl-3-phenyl-N-[4-[(1E,3E)-4-phenylhexa-1,3,5-trienyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-cyclohexa-1,3-dien-1-yl-4-dibenzothiophen-4-yl-N-(4-phenylphenyl)-N-[(1E,3E)-4-(4-phenylphenyl)hexa-1,3,5-trienyl]aniline;3-cyclohexa-1,3-dien-1-yl-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-phenylphenyl)aniline;4-dibenzofuran-4-yl-3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-N-(4-phenylphenyl)aniline;3,4-diphenyl-N-[(1E,3E)-4-(4-phenylcyclohexa-1,5-dien-1-yl)hexa-1,3,5-trienyl]-N-[4-(4-phenylphenyl)phenyl]aniline;4-naphthalen-1-yl-3-phenyl-N-[4-[(1E,3E)-4-phenylhexa-1,3,5-trienyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline
PubChem CID157073700
Molecular FormulaC336H258N8OS
Molecular Weight4455.88 g/mol
Exact Mass4452.01
IUPAC Name3-cyclohexa-1,3-dien-1-yl-4-dibenzothiophen-4-yl-N-(4-phenylphenyl)-N-[(1E,3E)-4-(4-phenylphenyl)hexa-1,3,5-trienyl]aniline;3-cyclohexa-1,3-dien-1-yl-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-phenylphenyl)aniline;4-dibenzofuran-4-yl-3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-N-(4-phenylphenyl)aniline;3,4-diphenyl-N-[(1E,3E)-4-(4-phenylcyclohexa-1,5-dien-1-yl)hexa-1,3,5-trienyl]-N-[4-(4-phenylphenyl)phenyl]aniline;4-naphthalen-1-yl-3-phenyl-N-[4-[(1E,3E)-4-phenylhexa-1,3,5-trienyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline
SMILESC1=CCCC(c2cc(N(c3ccc(C4=CCC(c5ccccc5)C=C4)cc3)c3ccc(-c4ccccc4)cc3)ccc2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)=C1.C=C/C(=C\C=C\N(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1ccc(-c2ccccc2)c(-c2ccccc2)c1)C1=CCC(c2ccccc2)C=C1.C=C/C(=C\C=C\N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2cccc3c2sc2ccccc23)c(C2=CC=CCC2)c1)c1ccc(-c2ccccc2)cc1.C=C/C(=C\C=C\c1ccc(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccc(-c3cccc4ccccc34)c(-c3ccccc3)c2)cc1)c1ccccc1.C=CC(C/C=C/c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc4c3ccn4-c3ccccc3)c(-c3ccccc3)c2)cc1)c1ccccc1.C=CC(C/C=C/c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc4c3oc3ccccc34)c(-c3ccccc3)c2)cc1)c1ccccc1
InChIInChI=1S/C60H46N2.C58H43N.C56H44N2.C54H41NO.C54H41NS.C54H43N/c1-5-15-43(16-6-1)45-25-27-46(28-26-45)48-31-36-53(37-32-48)61(52-34-29-47(30-35-52)44-17-7-2-8-18-44)54-38-39-55(57(42-54)49-19-9-3-10-20-49)50-33-40-60-58(41-50)56-23-13-14-24-59(56)62(60)51-21-11-4-12-22-51;1-2-44(45-17-6-3-7-18-45)24-14-16-43-28-36-52(37-29-43)59(53-38-34-49(35-39-53)48-32-30-47(31-33-48)46-19-8-4-9-20-46)54-40-41-57(58(42-54)51-21-10-5-11-22-51)56-27-15-25-50-23-12-13-26-55(50)56;1-2-43(44-18-7-3-8-19-44)24-15-17-42-29-33-49(34-30-42)58(50-35-31-46(32-36-50)45-20-9-4-10-21-45)51-37-38-53(55(41-51)47-22-11-5-12-23-47)52-27-16-28-56-54(52)39-40-57(56)48-25-13-6-14-26-48;1-2-40(41-17-6-3-7-18-41)23-14-16-39-28-32-45(33-29-39)55(46-34-30-43(31-35-46)42-19-8-4-9-20-42)47-36-37-48(52(38-47)44-21-10-5-11-22-44)50-25-15-26-51-49-24-12-13-27-53(49)56-54(50)51;1-2-39(42-27-29-43(30-28-42)40-16-6-3-7-17-40)22-15-37-55(46-33-31-44(32-34-46)41-18-8-4-9-19-41)47-35-36-48(52(38-47)45-20-10-5-11-21-45)50-24-14-25-51-49-23-12-13-26-53(49)56-54(50)51;1-2-41(44-25-27-45(28-26-44)42-16-7-3-8-17-42)24-15-39-55(51-35-33-48(34-36-51)47-31-29-46(30-32-47)43-18-9-4-10-19-43)52-37-38-53(49-20-11-5-12-21-49)54(40-52)50-22-13-6-14-23-50/h1-9,11-19,21-25,27-42,45H,10,20,26H2;2-42H,1H2;2-23,25-41,43H,1,24H2;2-22,24-38,40H,1,23H2;2-10,12-20,22-38H,1,11,21H2;2-27,29-40,45H,1,28H2/b;16-14+,44-24+;17-15+;16-14+;37-15+,39-22+;39-15+,41-24+
InChIKeyACSMYUPCUHSZGG-YIZZCWDUSA-N
XLogP94.11
TPSA42.44 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds64
Heavy Atoms346
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004455.88
LogP ≤ 594.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-cyclohexa-1,3-dien-1-yl-4-dibenzothiophen-4-yl-N-(4-phenylphenyl)-N-[(1E,3E)-4-(4-phenylphenyl)hexa-1,3,5-trienyl]aniline;3-cyclohexa-1,3-dien-1-yl-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-phenylphenyl)aniline;4-dibenzofuran-4-yl-3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-N-(4-phenylphenyl)aniline;3,4-diphenyl-N-[(1E,3E)-4-(4-phenylcyclohexa-1,5-dien-1-yl)hexa-1,3,5-trienyl]-N-[4-(4-phenylphenyl)phenyl]aniline;4-naphthalen-1-yl-3-phenyl-N-[4-[(1E,3E)-4-phenylhexa-1,3,5-trienyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

3-[9-(8-Fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole
CID 58511007
[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] thiophene-2-carboxylate
CID 87281148
[(E)-[[11-(2-ethylhexyl)-5-(2-methylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] thiophene-2-carboxylate
CID 89707525
N-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)-5-(8-phenyldibenzothiophen-2-yl)phenyl]-N-(4-fluorophenyl)isoquinolin-6-amine
CID 122666307
[[[11-(2-Ethylhexyl)-5-[(2-methylphenyl)methyl]benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] thiophene-2-carboxylate
CID 123229889
[[[11-(2-Ethylhexyl)-5-(2-methylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] thiophene-2-carboxylate
CID 123806523
[[[11-(2-Ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] thiophene-2-carboxylate
CID 123985412
3-Dibenzofuran-2-yl-9-(2,3-diphenyl-1-benzothiophen-5-yl)-1,8-difluoro-6-methylcarbazole
CID 134337714
3-Dibenzofuran-2-yl-9-(2,3-diphenyl-1-benzothiophen-5-yl)-1,8-difluoro-6-(trifluoromethyl)carbazole
CID 134343628
[11-(Cyclohexylmethyl)-8-[[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]benzo[a]carbazol-5-yl]-(2,4,6-trimethylphenyl)methanone;(methylideneamino) thiophene-2-carboxylate
CID 144357869
[(E)-[[11-[2-(chlorosulfanylmethyl)heptyl]-5-(2-methylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3-trifluorobutoxy)phenyl]methylidene]amino] thiophene-2-carboxylate
CID 145152140
6-Dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-fluorocarbazole
CID 146368869

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,3-dien-1-yl-4-dibenzothiophen-4-yl-N-(4-phenylphenyl)-N-[(1E,3E)-4-(4-phenylphenyl)hexa-1,3,5-trienyl]aniline;3-cyclohexa-1,3-dien-1-yl-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-phenylphenyl)aniline;4-dibenzofuran-4-yl-3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-N-(4-phenylphenyl)aniline;3,4-diphenyl-N-[(1E,3E)-4-(4-phenylcyclohexa-1,5-dien-1-yl)hexa-1,3,5-trienyl]-N-[4-(4-phenylphenyl)phenyl]aniline;4-naphthalen-1-yl-3-phenyl-N-[4-[(1E,3E)-4-phenylhexa-1,3,5-trienyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-cyclohexa-1,3-dien-1-yl-4-dibenzothiophen-4-yl-N-(4-phenylphenyl)-N-[(1E,3E)-4-(4-phenylphenyl)hexa-1,3,5-trienyl]aniline;3-cyclohexa-1,3-dien-1-yl-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-phenylphenyl)aniline;4-dibenzofuran-4-yl-3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-N-(4-phenylphenyl)aniline;3,4-diphenyl-N-[(1E,3E)-4-(4-phenylcyclohexa-1,5-dien-1-yl)hexa-1,3,5-trienyl]-N-[4-(4-phenylphenyl)phenyl]aniline;4-naphthalen-1-yl-3-phenyl-N-[4-[(1E,3E)-4-phenylhexa-1,3,5-trienyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline (CID 157073700) is 3-cyclohexa-1,3-dien-1-yl-4-dibenzothiophen-4-yl-N-(4-phenylphenyl)-N-[(1E,3E)-4-(4-phenylphenyl)hexa-1,3,5-trienyl]aniline;3-cyclohexa-1,3-dien-1-yl-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-phenylphenyl)aniline;4-dibenzofuran-4-yl-3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-N-(4-phenylphenyl)aniline;3,4-diphenyl-N-[(1E,3E)-4-(4-phenylcyclohexa-1,5-dien-1-yl)hexa-1,3,5-trienyl]-N-[4-(4-phenylphenyl)phenyl]aniline;4-naphthalen-1-yl-3-phenyl-N-[4-[(1E,3E)-4-phenylhexa-1,3,5-trienyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-cyclohexa-1,3-dien-1-yl-4-dibenzothiophen-4-yl-N-(4-phenylphenyl)-N-[(1E,3E)-4-(4-phenylphenyl)hexa-1,3,5-trienyl]aniline;3-cyclohexa-1,3-dien-1-yl-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-phenylphenyl)aniline;4-dibenzofuran-4-yl-3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-N-(4-phenylphenyl)aniline;3,4-diphenyl-N-[(1E,3E)-4-(4-phenylcyclohexa-1,5-dien-1-yl)hexa-1,3,5-trienyl]-N-[4-(4-phenylphenyl)phenyl]aniline;4-naphthalen-1-yl-3-phenyl-N-[4-[(1E,3E)-4-phenylhexa-1,3,5-trienyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-cyclohexa-1,3-dien-1-yl-4-dibenzothiophen-4-yl-N-(4-phenylphenyl)-N-[(1E,3E)-4-(4-phenylphenyl)hexa-1,3,5-trienyl]aniline;3-cyclohexa-1,3-dien-1-yl-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-phenylphenyl)aniline;4-dibenzofuran-4-yl-3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-N-(4-phenylphenyl)aniline;3,4-diphenyl-N-[(1E,3E)-4-(4-phenylcyclohexa-1,5-dien-1-yl)hexa-1,3,5-trienyl]-N-[4-(4-phenylphenyl)phenyl]aniline;4-naphthalen-1-yl-3-phenyl-N-[4-[(1E,3E)-4-phenylhexa-1,3,5-trienyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline is C1=CCCC(c2cc(N(c3ccc(C4=CCC(c5ccccc5)C=C4)cc3)c3ccc(-c4ccccc4)cc3)ccc2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)=C1.C=C/C(=C\C=C\N(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1ccc(-c2ccccc2)c(-c2ccccc2)c1)C1=CCC(c2ccccc2)C=C1.C=C/C(=C\C=C\N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2cccc3c2sc2ccccc23)c(C2=CC=CCC2)c1)c1ccc(-c2ccccc2)cc1.C=C/C(=C\C=C\c1ccc(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccc(-c3cccc4ccccc34)c(-c3ccccc3)c2)cc1)c1ccccc1.C=CC(C/C=C/c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc4c3ccn4-c3ccccc3)c(-c3ccccc3)c2)cc1)c1ccccc1.C=CC(C/C=C/c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc4c3oc3ccccc34)c(-c3ccccc3)c2)cc1)c1ccccc1.
What is the InChIKey of 3-cyclohexa-1,3-dien-1-yl-4-dibenzothiophen-4-yl-N-(4-phenylphenyl)-N-[(1E,3E)-4-(4-phenylphenyl)hexa-1,3,5-trienyl]aniline;3-cyclohexa-1,3-dien-1-yl-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-phenylphenyl)aniline;4-dibenzofuran-4-yl-3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-N-(4-phenylphenyl)aniline;3,4-diphenyl-N-[(1E,3E)-4-(4-phenylcyclohexa-1,5-dien-1-yl)hexa-1,3,5-trienyl]-N-[4-(4-phenylphenyl)phenyl]aniline;4-naphthalen-1-yl-3-phenyl-N-[4-[(1E,3E)-4-phenylhexa-1,3,5-trienyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline?
The InChIKey is ACSMYUPCUHSZGG-YIZZCWDUSA-N. The full InChI is InChI=1S/C60H46N2.C58H43N.C56H44N2.C54H41NO.C54H41NS.C54H43N/c1-5-15-43(16-6-1)45-25-27-46(28-26-45)48-31-36-53(37-32-48)61(52-34-29-47(30-35-52)44-17-7-2-8-18-44)54-38-39-55(57(42-54)49-19-9-3-10-20-49)50-33-40-60-58(41-50)56-23-13-14-24-59(56)62(60)51-21-11-4-12-22-51;1-2-44(45-17-6-3-7-18-45)24-14-16-43-28-36-52(37-29-43)59(53-38-34-49(35-39-53)48-32-30-47(31-33-48)46-19-8-4-9-20-46)54-40-41-57(58(42-54)51-21-10-5-11-22-51)56-27-15-25-50-23-12-13-26-55(50)56;1-2-43(44-18-7-3-8-19-44)24-15-17-42-29-33-49(34-30-42)58(50-35-31-46(32-36-50)45-20-9-4-10-21-45)51-37-38-53(55(41-51)47-22-11-5-12-23-47)52-27-16-28-56-54(52)39-40-57(56)48-25-13-6-14-26-48;1-2-40(41-17-6-3-7-18-41)23-14-16-39-28-32-45(33-29-39)55(46-34-30-43(31-35-46)42-19-8-4-9-20-42)47-36-37-48(52(38-47)44-21-10-5-11-22-44)50-25-15-26-51-49-24-12-13-27-53(49)56-54(50)51;1-2-39(42-27-29-43(30-28-42)40-16-6-3-7-17-40)22-15-37-55(46-33-31-44(32-34-46)41-18-8-4-9-19-41)47-35-36-48(52(38-47)45-20-10-5-11-21-45)50-24-14-25-51-49-23-12-13-26-53(49)56-54(50)51;1-2-41(44-25-27-45(28-26-44)42-16-7-3-8-17-42)24-15-39-55(51-35-33-48(34-36-51)47-31-29-46(30-32-47)43-18-9-4-10-19-43)52-37-38-53(49-20-11-5-12-21-49)54(40-52)50-22-13-6-14-23-50/h1-9,11-19,21-25,27-42,45H,10,20,26H2;2-42H,1H2;2-23,25-41,43H,1,24H2;2-22,24-38,40H,1,23H2;2-10,12-20,22-38H,1,11,21H2;2-27,29-40,45H,1,28H2/b;16-14+,44-24+;17-15+;16-14+;37-15+,39-22+;39-15+,41-24+.
What are the key properties of 3-cyclohexa-1,3-dien-1-yl-4-dibenzothiophen-4-yl-N-(4-phenylphenyl)-N-[(1E,3E)-4-(4-phenylphenyl)hexa-1,3,5-trienyl]aniline;3-cyclohexa-1,3-dien-1-yl-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-phenylphenyl)aniline;4-dibenzofuran-4-yl-3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-N-(4-phenylphenyl)aniline;3,4-diphenyl-N-[(1E,3E)-4-(4-phenylcyclohexa-1,5-dien-1-yl)hexa-1,3,5-trienyl]-N-[4-(4-phenylphenyl)phenyl]aniline;4-naphthalen-1-yl-3-phenyl-N-[4-[(1E,3E)-4-phenylhexa-1,3,5-trienyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline?
3-cyclohexa-1,3-dien-1-yl-4-dibenzothiophen-4-yl-N-(4-phenylphenyl)-N-[(1E,3E)-4-(4-phenylphenyl)hexa-1,3,5-trienyl]aniline;3-cyclohexa-1,3-dien-1-yl-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-phenylphenyl)aniline;4-dibenzofuran-4-yl-3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-N-(4-phenylphenyl)aniline;3,4-diphenyl-N-[(1E,3E)-4-(4-phenylcyclohexa-1,5-dien-1-yl)hexa-1,3,5-trienyl]-N-[4-(4-phenylphenyl)phenyl]aniline;4-naphthalen-1-yl-3-phenyl-N-[4-[(1E,3E)-4-phenylhexa-1,3,5-trienyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline has a molecular weight of 4455.88 g/mol, XLogP of 94.11, 64 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,3-dien-1-yl-4-dibenzothiophen-4-yl-N-(4-phenylphenyl)-N-[(1E,3E)-4-(4-phenylphenyl)hexa-1,3,5-trienyl]aniline;3-cyclohexa-1,3-dien-1-yl-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-phenylphenyl)aniline;4-dibenzofuran-4-yl-3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-N-(4-phenylphenyl)aniline;3,4-diphenyl-N-[(1E,3E)-4-(4-phenylcyclohexa-1,5-dien-1-yl)hexa-1,3,5-trienyl]-N-[4-(4-phenylphenyl)phenyl]aniline;4-naphthalen-1-yl-3-phenyl-N-[4-[(1E,3E)-4-phenylhexa-1,3,5-trienyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 157073700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).