4-[4-[(E)-2-[6-[10-(4-tert-butylnaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]ethenyl]-N-(9,9-dimethylfluoren-2-yl)anilino]benzonitrile;4-[(E)-1,2-dideuterio-2-[6-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;4-[(E)-1,2-dideuterio-2-[2,3,5,6-tetrafluoro-4-[10-(4-methylnaphthalen-1-yl)anthracen-9-yl]phenyl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;N-[4-[(E)-2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]-2,3,5,6-tetrafluorophenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine

C252H171F10N5 — CID 161479678

IUPAC4-[4-[(E)-2-[6-[10-(4-tert-butylnaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]ethenyl]-N-(9,9-dimethylfluoren-2-yl)anilino]benzonitrile;4-[(E)-1,2-dideuterio-2-[6-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;4-[(E)-1,2-dideuterio-2-[2,3,5,6-tetrafluoro-4-[10-(4-methylnaphthalen-1-yl)anthracen-9-yl]phenyl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;N-[4-[(E)-2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]-2,3,5,6-tetrafluorophenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESCC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc4cc(/C=C/c5ccc(N(c6ccc(C#N)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)ccc4c3)c3ccccc23)c2ccccc12.CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c5ccccc5c(-c5c(F)c(F)c(/C=C/c6ccc(N(c7ccccc7)c7ccc8ccccc8c7)cc6)c(F)c5F)c5ccccc45)c4ccccc34)cc21.[2H]/C(=C(/[2H])c1c(F)c(F)c(-c2c3ccccc3c(-c3ccc(C)c4ccccc34)c3ccccc23)c(F)c1F)c1ccc(N(c2ccccc2)c2ccc(F)cc2)cc1.[2H]/C(=C(/[2H])c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)c5ccccc45)c4ccccc34)ccc2c1)c1ccc(N(c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C69H45F4N.C68H52N2.C64H42FN.C51H32F5N/c1-69(2)60-27-15-14-22-52(60)53-37-32-45(41-61(53)69)49-38-39-58(51-21-9-8-20-50(49)51)62-54-23-10-12-25-56(54)63(57-26-13-11-24-55(57)62)64-67(72)65(70)59(66(71)68(64)73)36-30-42-28-33-47(34-29-42)74(46-18-4-3-5-19-46)48-35-31-43-16-6-7-17-44(43)40-48;1-67(2,3)62-39-38-61(53-14-6-7-15-54(53)62)66-59-19-10-8-17-57(59)65(58-18-9-11-20-60(58)66)49-31-30-47-40-45(24-29-48(47)41-49)23-22-44-25-32-50(33-26-44)70(51-34-27-46(43-69)28-35-51)52-36-37-56-55-16-12-13-21-63(55)68(4,5)64(56)42-52;65-51-32-36-54(37-33-51)66(52-14-2-1-3-15-52)53-34-25-43(26-35-53)22-23-44-24-27-48-42-50(31-29-47(48)40-44)63-58-18-8-10-20-60(58)64(61-21-11-9-19-59(61)63)62-39-38-55(56-16-6-7-17-57(56)62)49-30-28-45-12-4-5-13-46(45)41-49;1-31-19-29-43(38-14-6-5-13-37(31)38)45-39-15-7-9-17-41(39)46(42-18-10-8-16-40(42)45)47-50(55)48(53)44(49(54)51(47)56)30-22-32-20-25-35(26-21-32)57(34-11-3-2-4-12-34)36-27-23-33(52)24-28-36/h3-41H,1-2H3;6-42H,1-5H3;1-42H;2-30H,1H3/b36-30+;2*23-22+;30-22+/i;;22D,23D;22D,30D
InChIKeyWEENHYFENWOOAA-DPZGDCHFSA-N
MW3463.18 g/mol
LogP71.91
Rot. Bonds30

About 4-[4-[(E)-2-[6-[10-(4-tert-butylnaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]ethenyl]-N-(9,9-dimethylfluoren-2-yl)anilino]benzonitrile;4-[(E)-1,2-dideuterio-2-[6-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;4-[(E)-1,2-dideuterio-2-[2,3,5,6-tetrafluoro-4-[10-(4-methylnaphthalen-1-yl)anthracen-9-yl]phenyl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;N-[4-[(E)-2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]-2,3,5,6-tetrafluorophenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine

4-[4-[(E)-2-[6-[10-(4-tert-butylnaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]ethenyl]-N-(9,9-dimethylfluoren-2-yl)anilino]benzonitrile;4-[(E)-1,2-dideuterio-2-[6-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;4-[(E)-1,2-dideuterio-2-[2,3,5,6-tetrafluoro-4-[10-(4-methylnaphthalen-1-yl)anthracen-9-yl]phenyl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;N-[4-[(E)-2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]-2,3,5,6-tetrafluorophenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 161479678) has the molecular formula C252H171F10N5 and a molecular weight of 3463.18 g/mol. Its IUPAC name is 4-[4-[(E)-2-[6-[10-(4-tert-butylnaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]ethenyl]-N-(9,9-dimethylfluoren-2-yl)anilino]benzonitrile;4-[(E)-1,2-dideuterio-2-[6-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;4-[(E)-1,2-dideuterio-2-[2,3,5,6-tetrafluoro-4-[10-(4-methylnaphthalen-1-yl)anthracen-9-yl]phenyl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;N-[4-[(E)-2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]-2,3,5,6-tetrafluorophenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound Name4-[4-[(E)-2-[6-[10-(4-tert-butylnaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]ethenyl]-N-(9,9-dimethylfluoren-2-yl)anilino]benzonitrile;4-[(E)-1,2-dideuterio-2-[6-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;4-[(E)-1,2-dideuterio-2-[2,3,5,6-tetrafluoro-4-[10-(4-methylnaphthalen-1-yl)anthracen-9-yl]phenyl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;N-[4-[(E)-2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]-2,3,5,6-tetrafluorophenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
PubChem CID161479678
Molecular FormulaC252H171F10N5
Molecular Weight3463.18 g/mol
Exact Mass3460.36
IUPAC Name4-[4-[(E)-2-[6-[10-(4-tert-butylnaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]ethenyl]-N-(9,9-dimethylfluoren-2-yl)anilino]benzonitrile;4-[(E)-1,2-dideuterio-2-[6-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;4-[(E)-1,2-dideuterio-2-[2,3,5,6-tetrafluoro-4-[10-(4-methylnaphthalen-1-yl)anthracen-9-yl]phenyl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;N-[4-[(E)-2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]-2,3,5,6-tetrafluorophenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESCC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc4cc(/C=C/c5ccc(N(c6ccc(C#N)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)ccc4c3)c3ccccc23)c2ccccc12.CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c5ccccc5c(-c5c(F)c(F)c(/C=C/c6ccc(N(c7ccccc7)c7ccc8ccccc8c7)cc6)c(F)c5F)c5ccccc45)c4ccccc34)cc21.[2H]/C(=C(/[2H])c1c(F)c(F)c(-c2c3ccccc3c(-c3ccc(C)c4ccccc34)c3ccccc23)c(F)c1F)c1ccc(N(c2ccccc2)c2ccc(F)cc2)cc1.[2H]/C(=C(/[2H])c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)c5ccccc45)c4ccccc34)ccc2c1)c1ccc(N(c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C69H45F4N.C68H52N2.C64H42FN.C51H32F5N/c1-69(2)60-27-15-14-22-52(60)53-37-32-45(41-61(53)69)49-38-39-58(51-21-9-8-20-50(49)51)62-54-23-10-12-25-56(54)63(57-26-13-11-24-55(57)62)64-67(72)65(70)59(66(71)68(64)73)36-30-42-28-33-47(34-29-42)74(46-18-4-3-5-19-46)48-35-31-43-16-6-7-17-44(43)40-48;1-67(2,3)62-39-38-61(53-14-6-7-15-54(53)62)66-59-19-10-8-17-57(59)65(58-18-9-11-20-60(58)66)49-31-30-47-40-45(24-29-48(47)41-49)23-22-44-25-32-50(33-26-44)70(51-34-27-46(43-69)28-35-51)52-36-37-56-55-16-12-13-21-63(55)68(4,5)64(56)42-52;65-51-32-36-54(37-33-51)66(52-14-2-1-3-15-52)53-34-25-43(26-35-53)22-23-44-24-27-48-42-50(31-29-47(48)40-44)63-58-18-8-10-20-60(58)64(61-21-11-9-19-59(61)63)62-39-38-55(56-16-6-7-17-57(56)62)49-30-28-45-12-4-5-13-46(45)41-49;1-31-19-29-43(38-14-6-5-13-37(31)38)45-39-15-7-9-17-41(39)46(42-18-10-8-16-40(42)45)47-50(55)48(53)44(49(54)51(47)56)30-22-32-20-25-35(26-21-32)57(34-11-3-2-4-12-34)36-27-23-33(52)24-28-36/h3-41H,1-2H3;6-42H,1-5H3;1-42H;2-30H,1H3/b36-30+;2*23-22+;30-22+/i;;22D,23D;22D,30D
InChIKeyWEENHYFENWOOAA-DPZGDCHFSA-N
XLogP71.91
TPSA36.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds30
Heavy Atoms267
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003463.18
LogP ≤ 571.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-[4-[(E)-2-[6-[10-(4-tert-butylnaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]ethenyl]-N-(9,9-dimethylfluoren-2-yl)anilino]benzonitrile;4-[(E)-1,2-dideuterio-2-[6-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;4-[(E)-1,2-dideuterio-2-[2,3,5,6-tetrafluoro-4-[10-(4-methylnaphthalen-1-yl)anthracen-9-yl]phenyl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;N-[4-[(E)-2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]-2,3,5,6-tetrafluorophenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine with MolForge

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Related Compounds

7-[(E)-1,2-dideuterio-2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]ethenyl]-N-(4-fluorophenyl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine;4-[(E)-1,2-dideuterio-2-[2,3,5,6-tetrafluoro-4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;4-[N-(9,9-dimethylfluoren-2-yl)-4-[(E)-2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]ethenyl]anilino]benzonitrile;N-(4-fluorophenyl)-4-[(E)-2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]ethenyl]-N-phenylaniline;N-[4-[(E)-2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine;N-phenyl-N-[4-[(E)-2-[2,3,5,6-tetrafluoro-4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 161201132
N-[4-[2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]-2,3,5,6-tetrafluorophenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 123901192
4-[(E)-2-[10-(4-tert-butylnaphthalen-1-yl)anthracen-9-yl]ethenyl]-N,N-diphenylaniline;9,9-dimethyl-N-phenyl-N-[4-[(E)-2-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]ethenyl]phenyl]fluoren-2-amine;N-(4-fluorophenyl)-N-[4-[(E)-2-[10-(4-isocyanonaphthalen-1-yl)anthracen-9-yl]ethenyl]phenyl]-9,9-dimethylfluoren-2-amine;N-(4-fluorophenyl)-N-phenyl-6-[(E)-2-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]ethenyl]naphthalen-2-amine;9-[4-[(E)-2-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]carbazole;9-[6-[(E)-2-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]ethenyl]-3-pyridinyl]carbazole
CID 158462539
2-N,6-N-bis(4-tert-butylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9-naphthalen-1-yl-2-N,2-N,6-N,6-N,10-pentanaphthalen-2-ylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine
CID 159526206
4-[4-[2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]phenyl]ethenyl]-N-pyridin-2-ylanilino]benzonitrile
CID 123561189
3-[N-(9,9-dimethylfluoren-2-yl)-3-(N-(6,7-diphenylnaphthalen-2-yl)-4-fluoroanilino)anilino]-5-(N-(4-fluorophenyl)anilino)benzonitrile
CID 146601456
9,9-dimethyl-7-[(E)-2-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89067733
7-[5-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]benzo[c]phenanthren-8-yl]-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-tert-butylphenyl)-6-[5-[6-(N-(4-tert-butylphenyl)anilino)naphthalen-2-yl]benzo[c]phenanthren-8-yl]-N-phenylnaphthalen-2-amine;N-(4-methylphenyl)-6-[5-[6-(N-(4-methylphenyl)anilino)naphthalen-2-yl]benzo[c]phenanthren-8-yl]-N-phenylnaphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-6-[5-[6-(N-(4-phenylphenyl)anilino)naphthalen-2-yl]benzo[c]phenanthren-8-yl]naphthalen-2-amine
CID 159226758
2-tert-butyl-7-[7-[7-[6-(6-tert-butylnaphthalen-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene;2-[6-(6-tert-butylnaphthalen-2-yl)naphthalen-2-yl]-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene;7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,9,9-trimethyl-2-(6-naphthalen-2-ylnaphthalen-2-yl)fluorene;2-(9,9-dimethylfluoren-2-yl)-7-[9,9-dimethyl-7-(3-methyl-6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethylfluorene;7-[7-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 158840573
7-[(E)-1,2-dideuterio-2-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)ethenyl]-9,9-dimethyl-N-naphthalen-2-yl-N-phenylfluoren-2-amine;N-[4-[4-[(E)-1,2-dideuterio-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]ethenyl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 159465114
10-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine
CID 59221590
N-(9,9-dimethylfluoren-2-yl)-10-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]-N-phenylanthracen-9-amine
CID 59221508

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(E)-2-[6-[10-(4-tert-butylnaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]ethenyl]-N-(9,9-dimethylfluoren-2-yl)anilino]benzonitrile;4-[(E)-1,2-dideuterio-2-[6-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;4-[(E)-1,2-dideuterio-2-[2,3,5,6-tetrafluoro-4-[10-(4-methylnaphthalen-1-yl)anthracen-9-yl]phenyl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;N-[4-[(E)-2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]-2,3,5,6-tetrafluorophenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of 4-[4-[(E)-2-[6-[10-(4-tert-butylnaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]ethenyl]-N-(9,9-dimethylfluoren-2-yl)anilino]benzonitrile;4-[(E)-1,2-dideuterio-2-[6-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;4-[(E)-1,2-dideuterio-2-[2,3,5,6-tetrafluoro-4-[10-(4-methylnaphthalen-1-yl)anthracen-9-yl]phenyl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;N-[4-[(E)-2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]-2,3,5,6-tetrafluorophenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine (CID 161479678) is 4-[4-[(E)-2-[6-[10-(4-tert-butylnaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]ethenyl]-N-(9,9-dimethylfluoren-2-yl)anilino]benzonitrile;4-[(E)-1,2-dideuterio-2-[6-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;4-[(E)-1,2-dideuterio-2-[2,3,5,6-tetrafluoro-4-[10-(4-methylnaphthalen-1-yl)anthracen-9-yl]phenyl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;N-[4-[(E)-2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]-2,3,5,6-tetrafluorophenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for 4-[4-[(E)-2-[6-[10-(4-tert-butylnaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]ethenyl]-N-(9,9-dimethylfluoren-2-yl)anilino]benzonitrile;4-[(E)-1,2-dideuterio-2-[6-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;4-[(E)-1,2-dideuterio-2-[2,3,5,6-tetrafluoro-4-[10-(4-methylnaphthalen-1-yl)anthracen-9-yl]phenyl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;N-[4-[(E)-2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]-2,3,5,6-tetrafluorophenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for 4-[4-[(E)-2-[6-[10-(4-tert-butylnaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]ethenyl]-N-(9,9-dimethylfluoren-2-yl)anilino]benzonitrile;4-[(E)-1,2-dideuterio-2-[6-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;4-[(E)-1,2-dideuterio-2-[2,3,5,6-tetrafluoro-4-[10-(4-methylnaphthalen-1-yl)anthracen-9-yl]phenyl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;N-[4-[(E)-2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]-2,3,5,6-tetrafluorophenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine is CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc4cc(/C=C/c5ccc(N(c6ccc(C#N)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)ccc4c3)c3ccccc23)c2ccccc12.CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c5ccccc5c(-c5c(F)c(F)c(/C=C/c6ccc(N(c7ccccc7)c7ccc8ccccc8c7)cc6)c(F)c5F)c5ccccc45)c4ccccc34)cc21.[2H]/C(=C(/[2H])c1c(F)c(F)c(-c2c3ccccc3c(-c3ccc(C)c4ccccc34)c3ccccc23)c(F)c1F)c1ccc(N(c2ccccc2)c2ccc(F)cc2)cc1.[2H]/C(=C(/[2H])c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)c5ccccc45)c4ccccc34)ccc2c1)c1ccc(N(c2ccccc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[4-[(E)-2-[6-[10-(4-tert-butylnaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]ethenyl]-N-(9,9-dimethylfluoren-2-yl)anilino]benzonitrile;4-[(E)-1,2-dideuterio-2-[6-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;4-[(E)-1,2-dideuterio-2-[2,3,5,6-tetrafluoro-4-[10-(4-methylnaphthalen-1-yl)anthracen-9-yl]phenyl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;N-[4-[(E)-2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]-2,3,5,6-tetrafluorophenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is WEENHYFENWOOAA-DPZGDCHFSA-N. The full InChI is InChI=1S/C69H45F4N.C68H52N2.C64H42FN.C51H32F5N/c1-69(2)60-27-15-14-22-52(60)53-37-32-45(41-61(53)69)49-38-39-58(51-21-9-8-20-50(49)51)62-54-23-10-12-25-56(54)63(57-26-13-11-24-55(57)62)64-67(72)65(70)59(66(71)68(64)73)36-30-42-28-33-47(34-29-42)74(46-18-4-3-5-19-46)48-35-31-43-16-6-7-17-44(43)40-48;1-67(2,3)62-39-38-61(53-14-6-7-15-54(53)62)66-59-19-10-8-17-57(59)65(58-18-9-11-20-60(58)66)49-31-30-47-40-45(24-29-48(47)41-49)23-22-44-25-32-50(33-26-44)70(51-34-27-46(43-69)28-35-51)52-36-37-56-55-16-12-13-21-63(55)68(4,5)64(56)42-52;65-51-32-36-54(37-33-51)66(52-14-2-1-3-15-52)53-34-25-43(26-35-53)22-23-44-24-27-48-42-50(31-29-47(48)40-44)63-58-18-8-10-20-60(58)64(61-21-11-9-19-59(61)63)62-39-38-55(56-16-6-7-17-57(56)62)49-30-28-45-12-4-5-13-46(45)41-49;1-31-19-29-43(38-14-6-5-13-37(31)38)45-39-15-7-9-17-41(39)46(42-18-10-8-16-40(42)45)47-50(55)48(53)44(49(54)51(47)56)30-22-32-20-25-35(26-21-32)57(34-11-3-2-4-12-34)36-27-23-33(52)24-28-36/h3-41H,1-2H3;6-42H,1-5H3;1-42H;2-30H,1H3/b36-30+;2*23-22+;30-22+/i;;22D,23D;22D,30D.
What are the key properties of 4-[4-[(E)-2-[6-[10-(4-tert-butylnaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]ethenyl]-N-(9,9-dimethylfluoren-2-yl)anilino]benzonitrile;4-[(E)-1,2-dideuterio-2-[6-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;4-[(E)-1,2-dideuterio-2-[2,3,5,6-tetrafluoro-4-[10-(4-methylnaphthalen-1-yl)anthracen-9-yl]phenyl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;N-[4-[(E)-2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]-2,3,5,6-tetrafluorophenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine?
4-[4-[(E)-2-[6-[10-(4-tert-butylnaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]ethenyl]-N-(9,9-dimethylfluoren-2-yl)anilino]benzonitrile;4-[(E)-1,2-dideuterio-2-[6-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;4-[(E)-1,2-dideuterio-2-[2,3,5,6-tetrafluoro-4-[10-(4-methylnaphthalen-1-yl)anthracen-9-yl]phenyl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;N-[4-[(E)-2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]-2,3,5,6-tetrafluorophenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 3463.18 g/mol, XLogP of 71.91, 30 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(E)-2-[6-[10-(4-tert-butylnaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]ethenyl]-N-(9,9-dimethylfluoren-2-yl)anilino]benzonitrile;4-[(E)-1,2-dideuterio-2-[6-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;4-[(E)-1,2-dideuterio-2-[2,3,5,6-tetrafluoro-4-[10-(4-methylnaphthalen-1-yl)anthracen-9-yl]phenyl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;N-[4-[(E)-2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]-2,3,5,6-tetrafluorophenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 161479678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).