1-N,4-N-bis(4-hexylphenyl)-2-[(E)-2-[4-[2-(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine;1-N,4-N-bis(4-methylphenyl)-2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;(2E)-2-[(10Z)-6-[(E)-2-[2,5-bis(N-naphthalen-2-ylanilino)-4-[(E)-prop-1-enyl]phenyl]ethenyl]-10-[cyano-(methylideneamino)methylidene]-2-methylanthracen-9-ylidene]-2-(methylideneamino)acetonitrile;3-[(E)-2-[2,5-di(carbazol-9-yl)-4-[(E)-prop-1-enyl]phenyl]ethenyl]-5,6,8-trimethyl-1,10-phenanthroline;2-[(E)-2-(4,5-dimethyl-3-pyridinyl)ethenyl]-1-N,4-N-dinaphthalen-2-yl-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;2-[(E)-2-(5-methyl-4-octylthiophen-2-yl)ethenyl]-1-N,1-N,4-N,4-N-tetraphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine

C337H289N21S2 — CID 159404097

IUPAC1-N,4-N-bis(4-hexylphenyl)-2-[(E)-2-[4-[2-(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine;1-N,4-N-bis(4-methylphenyl)-2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;(2E)-2-[(10Z)-6-[(E)-2-[2,5-bis(N-naphthalen-2-ylanilino)-4-[(E)-prop-1-enyl]phenyl]ethenyl]-10-[cyano-(methylideneamino)methylidene]-2-methylanthracen-9-ylidene]-2-(methylideneamino)acetonitrile;3-[(E)-2-[2,5-di(carbazol-9-yl)-4-[(E)-prop-1-enyl]phenyl]ethenyl]-5,6,8-trimethyl-1,10-phenanthroline;2-[(E)-2-(4,5-dimethyl-3-pyridinyl)ethenyl]-1-N,4-N-dinaphthalen-2-yl-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;2-[(E)-2-(5-methyl-4-octylthiophen-2-yl)ethenyl]-1-N,1-N,4-N,4-N-tetraphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine
SMILESC/C=C/c1cc(-n2c3ccccc3c3ccccc32)c(/C=C/c2cnc3c(c2)c(C)c(C)c2cc(C)cnc23)cc1-n1c2ccccc2c2ccccc21.C/C=C/c1cc(N(c2ccccc2)c2ccc(C)cc2)c(/C=C/c2ccc(C)s2)cc1N(c1ccccc1)c1ccc(C)cc1.C/C=C/c1cc(N(c2ccccc2)c2ccc3ccccc3c2)c(/C=C/c2cncc(C)c2C)cc1N(c1ccccc1)c1ccc2ccccc2c1.C/C=C/c1cc(N(c2ccccc2)c2ccccc2)c(/C=C/c2cc(CCCCCCCC)c(C)s2)cc1N(c1ccccc1)c1ccccc1.C/C=C/c1cc(N(c2ccncc2)c2ccc(CCCCCC)cc2)c(/C=C/c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccc(-c6ccc(C)cc6)cc53)c3ccccc3-4)cc2)cc1N(c1ccncc1)c1ccc(CCCCCC)cc1.C=N/C(C#N)=c1\c2cc(/C=C/c3cc(N(c4ccccc4)c4ccc5ccccc5c4)c(/C=C/C)cc3N(c3ccccc3)c3ccc4ccccc4c3)ccc2/c(=C(/C#N)N=C)c2cc(C)ccc12
InChIInChI=1S/C83H76N4.C64H46N6.C50H38N4.C50H41N3.C48H50N2S.C42H38N2S/c1-5-8-10-12-19-60-30-41-69(42-31-60)86(71-47-51-84-52-48-71)81-58-68(82(57-67(81)18-7-3)87(72-49-53-85-54-50-72)70-43-32-61(33-44-70)20-13-11-9-6-2)38-29-62-27-36-64(37-28-62)66-40-46-76-74-22-15-17-24-78(74)83(80(76)56-66)77-23-16-14-21-73(77)75-45-39-65(55-79(75)83)63-34-25-59(4)26-35-63;1-5-16-49-39-62(70(52-23-10-7-11-24-52)54-32-30-46-18-13-15-20-48(46)38-54)50(40-61(49)69(51-21-8-6-9-22-51)53-31-29-45-17-12-14-19-47(45)37-53)28-26-44-27-34-56-58(36-44)64(60(42-66)68-4)55-33-25-43(2)35-57(55)63(56)59(41-65)67-3;1-5-14-35-27-48(54-45-21-12-8-17-39(45)40-18-9-13-22-46(40)54)36(28-47(35)53-43-19-10-6-15-37(43)38-16-7-11-20-44(38)53)24-23-34-26-42-33(4)32(3)41-25-31(2)29-51-49(41)50(42)52-30-34;1-4-15-42-32-50(53(46-22-9-6-10-23-46)48-29-27-39-17-12-14-19-41(39)31-48)43(24-25-44-35-51-34-36(2)37(44)3)33-49(42)52(45-20-7-5-8-21-45)47-28-26-38-16-11-13-18-40(38)30-47;1-4-6-7-8-9-14-24-39-35-46(51-38(39)3)34-33-41-37-47(49(42-25-15-10-16-26-42)43-27-17-11-18-28-43)40(23-5-2)36-48(41)50(44-29-19-12-20-30-44)45-31-21-13-22-32-45;1-5-12-34-29-42(44(37-15-10-7-11-16-37)39-25-19-32(3)20-26-39)35(22-28-40-27-21-33(4)45-40)30-41(34)43(36-13-8-6-9-14-36)38-23-17-31(2)18-24-38/h7,14-18,21-58H,5-6,8-13,19-20H2,1-4H3;5-40H,3-4H2,1-2H3;5-30H,1-4H3;4-35H,1-3H3;5,10-13,15-23,25-37H,4,6-9,14,24H2,1-3H3;5-30H,1-4H3/b18-7+,38-29+;16-5+,28-26+,63-59+,64-60-;14-5+,24-23+;15-4+,25-24+;23-5+,34-33+;12-5+,28-22+
InChIKeyLNSOYQIGOBNBKJ-UQGYWPDESA-N
MW4697.30 g/mol
LogP93.44
Rot. Bonds71

About 1-N,4-N-bis(4-hexylphenyl)-2-[(E)-2-[4-[2-(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine;1-N,4-N-bis(4-methylphenyl)-2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;(2E)-2-[(10Z)-6-[(E)-2-[2,5-bis(N-naphthalen-2-ylanilino)-4-[(E)-prop-1-enyl]phenyl]ethenyl]-10-[cyano-(methylideneamino)methylidene]-2-methylanthracen-9-ylidene]-2-(methylideneamino)acetonitrile;3-[(E)-2-[2,5-di(carbazol-9-yl)-4-[(E)-prop-1-enyl]phenyl]ethenyl]-5,6,8-trimethyl-1,10-phenanthroline;2-[(E)-2-(4,5-dimethyl-3-pyridinyl)ethenyl]-1-N,4-N-dinaphthalen-2-yl-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;2-[(E)-2-(5-methyl-4-octylthiophen-2-yl)ethenyl]-1-N,1-N,4-N,4-N-tetraphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine

1-N,4-N-bis(4-hexylphenyl)-2-[(E)-2-[4-[2-(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine;1-N,4-N-bis(4-methylphenyl)-2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;(2E)-2-[(10Z)-6-[(E)-2-[2,5-bis(N-naphthalen-2-ylanilino)-4-[(E)-prop-1-enyl]phenyl]ethenyl]-10-[cyano-(methylideneamino)methylidene]-2-methylanthracen-9-ylidene]-2-(methylideneamino)acetonitrile;3-[(E)-2-[2,5-di(carbazol-9-yl)-4-[(E)-prop-1-enyl]phenyl]ethenyl]-5,6,8-trimethyl-1,10-phenanthroline;2-[(E)-2-(4,5-dimethyl-3-pyridinyl)ethenyl]-1-N,4-N-dinaphthalen-2-yl-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;2-[(E)-2-(5-methyl-4-octylthiophen-2-yl)ethenyl]-1-N,1-N,4-N,4-N-tetraphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine (PubChem CID 159404097) has the molecular formula C337H289N21S2 and a molecular weight of 4697.30 g/mol. Its IUPAC name is 1-N,4-N-bis(4-hexylphenyl)-2-[(E)-2-[4-[2-(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine;1-N,4-N-bis(4-methylphenyl)-2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;(2E)-2-[(10Z)-6-[(E)-2-[2,5-bis(N-naphthalen-2-ylanilino)-4-[(E)-prop-1-enyl]phenyl]ethenyl]-10-[cyano-(methylideneamino)methylidene]-2-methylanthracen-9-ylidene]-2-(methylideneamino)acetonitrile;3-[(E)-2-[2,5-di(carbazol-9-yl)-4-[(E)-prop-1-enyl]phenyl]ethenyl]-5,6,8-trimethyl-1,10-phenanthroline;2-[(E)-2-(4,5-dimethyl-3-pyridinyl)ethenyl]-1-N,4-N-dinaphthalen-2-yl-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;2-[(E)-2-(5-methyl-4-octylthiophen-2-yl)ethenyl]-1-N,1-N,4-N,4-N-tetraphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(4-hexylphenyl)-2-[(E)-2-[4-[2-(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine;1-N,4-N-bis(4-methylphenyl)-2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;(2E)-2-[(10Z)-6-[(E)-2-[2,5-bis(N-naphthalen-2-ylanilino)-4-[(E)-prop-1-enyl]phenyl]ethenyl]-10-[cyano-(methylideneamino)methylidene]-2-methylanthracen-9-ylidene]-2-(methylideneamino)acetonitrile;3-[(E)-2-[2,5-di(carbazol-9-yl)-4-[(E)-prop-1-enyl]phenyl]ethenyl]-5,6,8-trimethyl-1,10-phenanthroline;2-[(E)-2-(4,5-dimethyl-3-pyridinyl)ethenyl]-1-N,4-N-dinaphthalen-2-yl-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;2-[(E)-2-(5-methyl-4-octylthiophen-2-yl)ethenyl]-1-N,1-N,4-N,4-N-tetraphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine
PubChem CID159404097
Molecular FormulaC337H289N21S2
Molecular Weight4697.30 g/mol
Exact Mass4693.27
IUPAC Name1-N,4-N-bis(4-hexylphenyl)-2-[(E)-2-[4-[2-(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine;1-N,4-N-bis(4-methylphenyl)-2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;(2E)-2-[(10Z)-6-[(E)-2-[2,5-bis(N-naphthalen-2-ylanilino)-4-[(E)-prop-1-enyl]phenyl]ethenyl]-10-[cyano-(methylideneamino)methylidene]-2-methylanthracen-9-ylidene]-2-(methylideneamino)acetonitrile;3-[(E)-2-[2,5-di(carbazol-9-yl)-4-[(E)-prop-1-enyl]phenyl]ethenyl]-5,6,8-trimethyl-1,10-phenanthroline;2-[(E)-2-(4,5-dimethyl-3-pyridinyl)ethenyl]-1-N,4-N-dinaphthalen-2-yl-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;2-[(E)-2-(5-methyl-4-octylthiophen-2-yl)ethenyl]-1-N,1-N,4-N,4-N-tetraphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine
SMILESC/C=C/c1cc(-n2c3ccccc3c3ccccc32)c(/C=C/c2cnc3c(c2)c(C)c(C)c2cc(C)cnc23)cc1-n1c2ccccc2c2ccccc21.C/C=C/c1cc(N(c2ccccc2)c2ccc(C)cc2)c(/C=C/c2ccc(C)s2)cc1N(c1ccccc1)c1ccc(C)cc1.C/C=C/c1cc(N(c2ccccc2)c2ccc3ccccc3c2)c(/C=C/c2cncc(C)c2C)cc1N(c1ccccc1)c1ccc2ccccc2c1.C/C=C/c1cc(N(c2ccccc2)c2ccccc2)c(/C=C/c2cc(CCCCCCCC)c(C)s2)cc1N(c1ccccc1)c1ccccc1.C/C=C/c1cc(N(c2ccncc2)c2ccc(CCCCCC)cc2)c(/C=C/c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccc(-c6ccc(C)cc6)cc53)c3ccccc3-4)cc2)cc1N(c1ccncc1)c1ccc(CCCCCC)cc1.C=N/C(C#N)=c1\c2cc(/C=C/c3cc(N(c4ccccc4)c4ccc5ccccc5c4)c(/C=C/C)cc3N(c3ccccc3)c3ccc4ccccc4c3)ccc2/c(=C(/C#N)N=C)c2cc(C)ccc12
InChIInChI=1S/C83H76N4.C64H46N6.C50H38N4.C50H41N3.C48H50N2S.C42H38N2S/c1-5-8-10-12-19-60-30-41-69(42-31-60)86(71-47-51-84-52-48-71)81-58-68(82(57-67(81)18-7-3)87(72-49-53-85-54-50-72)70-43-32-61(33-44-70)20-13-11-9-6-2)38-29-62-27-36-64(37-28-62)66-40-46-76-74-22-15-17-24-78(74)83(80(76)56-66)77-23-16-14-21-73(77)75-45-39-65(55-79(75)83)63-34-25-59(4)26-35-63;1-5-16-49-39-62(70(52-23-10-7-11-24-52)54-32-30-46-18-13-15-20-48(46)38-54)50(40-61(49)69(51-21-8-6-9-22-51)53-31-29-45-17-12-14-19-47(45)37-53)28-26-44-27-34-56-58(36-44)64(60(42-66)68-4)55-33-25-43(2)35-57(55)63(56)59(41-65)67-3;1-5-14-35-27-48(54-45-21-12-8-17-39(45)40-18-9-13-22-46(40)54)36(28-47(35)53-43-19-10-6-15-37(43)38-16-7-11-20-44(38)53)24-23-34-26-42-33(4)32(3)41-25-31(2)29-51-49(41)50(42)52-30-34;1-4-15-42-32-50(53(46-22-9-6-10-23-46)48-29-27-39-17-12-14-19-41(39)31-48)43(24-25-44-35-51-34-36(2)37(44)3)33-49(42)52(45-20-7-5-8-21-45)47-28-26-38-16-11-13-18-40(38)30-47;1-4-6-7-8-9-14-24-39-35-46(51-38(39)3)34-33-41-37-47(49(42-25-15-10-16-26-42)43-27-17-11-18-28-43)40(23-5-2)36-48(41)50(44-29-19-12-20-30-44)45-31-21-13-22-32-45;1-5-12-34-29-42(44(37-15-10-7-11-16-37)39-25-19-32(3)20-26-39)35(22-28-40-27-21-33(4)45-40)30-41(34)43(36-13-8-6-9-14-36)38-23-17-31(2)18-24-38/h7,14-18,21-58H,5-6,8-13,19-20H2,1-4H3;5-40H,3-4H2,1-2H3;5-30H,1-4H3;4-35H,1-3H3;5,10-13,15-23,25-37H,4,6-9,14,24H2,1-3H3;5-30H,1-4H3/b18-7+,38-29+;16-5+,28-26+,63-59+,64-60-;14-5+,24-23+;15-4+,25-24+;23-5+,34-33+;12-5+,28-22+
InChIKeyLNSOYQIGOBNBKJ-UQGYWPDESA-N
XLogP93.44
TPSA179.01 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds71
Heavy Atoms360
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004697.30
LogP ≤ 593.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 1-N,4-N-bis(4-hexylphenyl)-2-[(E)-2-[4-[2-(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine;1-N,4-N-bis(4-methylphenyl)-2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;(2E)-2-[(10Z)-6-[(E)-2-[2,5-bis(N-naphthalen-2-ylanilino)-4-[(E)-prop-1-enyl]phenyl]ethenyl]-10-[cyano-(methylideneamino)methylidene]-2-methylanthracen-9-ylidene]-2-(methylideneamino)acetonitrile;3-[(E)-2-[2,5-di(carbazol-9-yl)-4-[(E)-prop-1-enyl]phenyl]ethenyl]-5,6,8-trimethyl-1,10-phenanthroline;2-[(E)-2-(4,5-dimethyl-3-pyridinyl)ethenyl]-1-N,4-N-dinaphthalen-2-yl-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;2-[(E)-2-(5-methyl-4-octylthiophen-2-yl)ethenyl]-1-N,1-N,4-N,4-N-tetraphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine with MolForge

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Related Compounds

9-[4-carbazol-9-yl-2-[(E)-prop-1-enyl]-5-[(E)-2-(5,9,11-trimethyl-6b,7-dihydroperylen-3-yl)ethenyl]phenyl]carbazole;9-[4-carbazol-9-yl-2-[(E)-prop-1-enyl]-5-[(E)-2-(7,9,10-trimethylphenanthren-2-yl)ethenyl]phenyl]carbazole;1-N,4-N-diphenyl-2-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-yl-5-[(E)-2-(4,7,9-trimethylpyren-2-yl)ethenyl]benzene-1,4-diamine;2-[(E)-2-(6-hexoxy-2,10-dimethylanthracen-9-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine;2-[(E)-2-(9-hexyl-7,9-dimethylfluoren-2-yl)ethenyl]-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;2-[(E)-2-[6-[2-methyl-10-(6-methylnaphthalen-2-yl)-6-octoxyanthracen-9-yl]naphthalen-2-yl]ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine;2-[(E)-2-(6-methylnaphthalen-2-yl)ethenyl]-1-N,1-N,4-N,4-N-tetraphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine
CID 159484561
9-[9,9-bis(4-hexylphenyl)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene;6-N,12-N-bis(4-methylphenyl)-2,8-di(propan-2-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;7-[7-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine;N,N-diphenyl-4-[(E)-2-[7'-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]aniline;7,12-diphenyl-3-(6-phenylnaphthalen-2-yl)benzo[k]fluoranthene;6-N,6-N,12-N,12-N-tetrakis(4-methylphenyl)chrysene-6,12-diamine;4,7,9,12-tetraphenylbenzo[k]fluoranthene
CID 161047664
N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-naphthalen-1-yl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine;N-naphthalen-2-yl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 160543071
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-naphthalen-1-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 158340092
9-naphthalen-1-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-1-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole
CID 59236693
2-[(E)-2-(1,5-dihexyl-6-methylnaphthalen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine
CID 20710101
N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-naphthalen-2-yl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 159894474
N-(9-phenylcarbazol-3-yl)-N-[9-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-9-propylcarbazol-2-amine
CID 90128717
2-[(E)-2-[4-(2-methyl-6-octoxy-10-phenylanthracen-9-yl)phenyl]ethenyl]-1-N,1-N,4-N,4-N-tetraphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine
CID 20710105
N,N-diphenyl-4-[(E)-2-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylphenyl)ethenyl]aniline
CID 102596367
N-[4-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine;N-[4-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine;N-naphthalen-2-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 158886069
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 129085098

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-hexylphenyl)-2-[(E)-2-[4-[2-(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine;1-N,4-N-bis(4-methylphenyl)-2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;(2E)-2-[(10Z)-6-[(E)-2-[2,5-bis(N-naphthalen-2-ylanilino)-4-[(E)-prop-1-enyl]phenyl]ethenyl]-10-[cyano-(methylideneamino)methylidene]-2-methylanthracen-9-ylidene]-2-(methylideneamino)acetonitrile;3-[(E)-2-[2,5-di(carbazol-9-yl)-4-[(E)-prop-1-enyl]phenyl]ethenyl]-5,6,8-trimethyl-1,10-phenanthroline;2-[(E)-2-(4,5-dimethyl-3-pyridinyl)ethenyl]-1-N,4-N-dinaphthalen-2-yl-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;2-[(E)-2-(5-methyl-4-octylthiophen-2-yl)ethenyl]-1-N,1-N,4-N,4-N-tetraphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(4-hexylphenyl)-2-[(E)-2-[4-[2-(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine;1-N,4-N-bis(4-methylphenyl)-2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;(2E)-2-[(10Z)-6-[(E)-2-[2,5-bis(N-naphthalen-2-ylanilino)-4-[(E)-prop-1-enyl]phenyl]ethenyl]-10-[cyano-(methylideneamino)methylidene]-2-methylanthracen-9-ylidene]-2-(methylideneamino)acetonitrile;3-[(E)-2-[2,5-di(carbazol-9-yl)-4-[(E)-prop-1-enyl]phenyl]ethenyl]-5,6,8-trimethyl-1,10-phenanthroline;2-[(E)-2-(4,5-dimethyl-3-pyridinyl)ethenyl]-1-N,4-N-dinaphthalen-2-yl-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;2-[(E)-2-(5-methyl-4-octylthiophen-2-yl)ethenyl]-1-N,1-N,4-N,4-N-tetraphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine (CID 159404097) is 1-N,4-N-bis(4-hexylphenyl)-2-[(E)-2-[4-[2-(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine;1-N,4-N-bis(4-methylphenyl)-2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;(2E)-2-[(10Z)-6-[(E)-2-[2,5-bis(N-naphthalen-2-ylanilino)-4-[(E)-prop-1-enyl]phenyl]ethenyl]-10-[cyano-(methylideneamino)methylidene]-2-methylanthracen-9-ylidene]-2-(methylideneamino)acetonitrile;3-[(E)-2-[2,5-di(carbazol-9-yl)-4-[(E)-prop-1-enyl]phenyl]ethenyl]-5,6,8-trimethyl-1,10-phenanthroline;2-[(E)-2-(4,5-dimethyl-3-pyridinyl)ethenyl]-1-N,4-N-dinaphthalen-2-yl-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;2-[(E)-2-(5-methyl-4-octylthiophen-2-yl)ethenyl]-1-N,1-N,4-N,4-N-tetraphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(4-hexylphenyl)-2-[(E)-2-[4-[2-(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine;1-N,4-N-bis(4-methylphenyl)-2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;(2E)-2-[(10Z)-6-[(E)-2-[2,5-bis(N-naphthalen-2-ylanilino)-4-[(E)-prop-1-enyl]phenyl]ethenyl]-10-[cyano-(methylideneamino)methylidene]-2-methylanthracen-9-ylidene]-2-(methylideneamino)acetonitrile;3-[(E)-2-[2,5-di(carbazol-9-yl)-4-[(E)-prop-1-enyl]phenyl]ethenyl]-5,6,8-trimethyl-1,10-phenanthroline;2-[(E)-2-(4,5-dimethyl-3-pyridinyl)ethenyl]-1-N,4-N-dinaphthalen-2-yl-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;2-[(E)-2-(5-methyl-4-octylthiophen-2-yl)ethenyl]-1-N,1-N,4-N,4-N-tetraphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(4-hexylphenyl)-2-[(E)-2-[4-[2-(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine;1-N,4-N-bis(4-methylphenyl)-2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;(2E)-2-[(10Z)-6-[(E)-2-[2,5-bis(N-naphthalen-2-ylanilino)-4-[(E)-prop-1-enyl]phenyl]ethenyl]-10-[cyano-(methylideneamino)methylidene]-2-methylanthracen-9-ylidene]-2-(methylideneamino)acetonitrile;3-[(E)-2-[2,5-di(carbazol-9-yl)-4-[(E)-prop-1-enyl]phenyl]ethenyl]-5,6,8-trimethyl-1,10-phenanthroline;2-[(E)-2-(4,5-dimethyl-3-pyridinyl)ethenyl]-1-N,4-N-dinaphthalen-2-yl-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;2-[(E)-2-(5-methyl-4-octylthiophen-2-yl)ethenyl]-1-N,1-N,4-N,4-N-tetraphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine is C/C=C/c1cc(-n2c3ccccc3c3ccccc32)c(/C=C/c2cnc3c(c2)c(C)c(C)c2cc(C)cnc23)cc1-n1c2ccccc2c2ccccc21.C/C=C/c1cc(N(c2ccccc2)c2ccc(C)cc2)c(/C=C/c2ccc(C)s2)cc1N(c1ccccc1)c1ccc(C)cc1.C/C=C/c1cc(N(c2ccccc2)c2ccc3ccccc3c2)c(/C=C/c2cncc(C)c2C)cc1N(c1ccccc1)c1ccc2ccccc2c1.C/C=C/c1cc(N(c2ccccc2)c2ccccc2)c(/C=C/c2cc(CCCCCCCC)c(C)s2)cc1N(c1ccccc1)c1ccccc1.C/C=C/c1cc(N(c2ccncc2)c2ccc(CCCCCC)cc2)c(/C=C/c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccc(-c6ccc(C)cc6)cc53)c3ccccc3-4)cc2)cc1N(c1ccncc1)c1ccc(CCCCCC)cc1.C=N/C(C#N)=c1\c2cc(/C=C/c3cc(N(c4ccccc4)c4ccc5ccccc5c4)c(/C=C/C)cc3N(c3ccccc3)c3ccc4ccccc4c3)ccc2/c(=C(/C#N)N=C)c2cc(C)ccc12.
What is the InChIKey of 1-N,4-N-bis(4-hexylphenyl)-2-[(E)-2-[4-[2-(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine;1-N,4-N-bis(4-methylphenyl)-2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;(2E)-2-[(10Z)-6-[(E)-2-[2,5-bis(N-naphthalen-2-ylanilino)-4-[(E)-prop-1-enyl]phenyl]ethenyl]-10-[cyano-(methylideneamino)methylidene]-2-methylanthracen-9-ylidene]-2-(methylideneamino)acetonitrile;3-[(E)-2-[2,5-di(carbazol-9-yl)-4-[(E)-prop-1-enyl]phenyl]ethenyl]-5,6,8-trimethyl-1,10-phenanthroline;2-[(E)-2-(4,5-dimethyl-3-pyridinyl)ethenyl]-1-N,4-N-dinaphthalen-2-yl-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;2-[(E)-2-(5-methyl-4-octylthiophen-2-yl)ethenyl]-1-N,1-N,4-N,4-N-tetraphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine?
The InChIKey is LNSOYQIGOBNBKJ-UQGYWPDESA-N. The full InChI is InChI=1S/C83H76N4.C64H46N6.C50H38N4.C50H41N3.C48H50N2S.C42H38N2S/c1-5-8-10-12-19-60-30-41-69(42-31-60)86(71-47-51-84-52-48-71)81-58-68(82(57-67(81)18-7-3)87(72-49-53-85-54-50-72)70-43-32-61(33-44-70)20-13-11-9-6-2)38-29-62-27-36-64(37-28-62)66-40-46-76-74-22-15-17-24-78(74)83(80(76)56-66)77-23-16-14-21-73(77)75-45-39-65(55-79(75)83)63-34-25-59(4)26-35-63;1-5-16-49-39-62(70(52-23-10-7-11-24-52)54-32-30-46-18-13-15-20-48(46)38-54)50(40-61(49)69(51-21-8-6-9-22-51)53-31-29-45-17-12-14-19-47(45)37-53)28-26-44-27-34-56-58(36-44)64(60(42-66)68-4)55-33-25-43(2)35-57(55)63(56)59(41-65)67-3;1-5-14-35-27-48(54-45-21-12-8-17-39(45)40-18-9-13-22-46(40)54)36(28-47(35)53-43-19-10-6-15-37(43)38-16-7-11-20-44(38)53)24-23-34-26-42-33(4)32(3)41-25-31(2)29-51-49(41)50(42)52-30-34;1-4-15-42-32-50(53(46-22-9-6-10-23-46)48-29-27-39-17-12-14-19-41(39)31-48)43(24-25-44-35-51-34-36(2)37(44)3)33-49(42)52(45-20-7-5-8-21-45)47-28-26-38-16-11-13-18-40(38)30-47;1-4-6-7-8-9-14-24-39-35-46(51-38(39)3)34-33-41-37-47(49(42-25-15-10-16-26-42)43-27-17-11-18-28-43)40(23-5-2)36-48(41)50(44-29-19-12-20-30-44)45-31-21-13-22-32-45;1-5-12-34-29-42(44(37-15-10-7-11-16-37)39-25-19-32(3)20-26-39)35(22-28-40-27-21-33(4)45-40)30-41(34)43(36-13-8-6-9-14-36)38-23-17-31(2)18-24-38/h7,14-18,21-58H,5-6,8-13,19-20H2,1-4H3;5-40H,3-4H2,1-2H3;5-30H,1-4H3;4-35H,1-3H3;5,10-13,15-23,25-37H,4,6-9,14,24H2,1-3H3;5-30H,1-4H3/b18-7+,38-29+;16-5+,28-26+,63-59+,64-60-;14-5+,24-23+;15-4+,25-24+;23-5+,34-33+;12-5+,28-22+.
What are the key properties of 1-N,4-N-bis(4-hexylphenyl)-2-[(E)-2-[4-[2-(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine;1-N,4-N-bis(4-methylphenyl)-2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;(2E)-2-[(10Z)-6-[(E)-2-[2,5-bis(N-naphthalen-2-ylanilino)-4-[(E)-prop-1-enyl]phenyl]ethenyl]-10-[cyano-(methylideneamino)methylidene]-2-methylanthracen-9-ylidene]-2-(methylideneamino)acetonitrile;3-[(E)-2-[2,5-di(carbazol-9-yl)-4-[(E)-prop-1-enyl]phenyl]ethenyl]-5,6,8-trimethyl-1,10-phenanthroline;2-[(E)-2-(4,5-dimethyl-3-pyridinyl)ethenyl]-1-N,4-N-dinaphthalen-2-yl-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;2-[(E)-2-(5-methyl-4-octylthiophen-2-yl)ethenyl]-1-N,1-N,4-N,4-N-tetraphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine?
1-N,4-N-bis(4-hexylphenyl)-2-[(E)-2-[4-[2-(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine;1-N,4-N-bis(4-methylphenyl)-2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;(2E)-2-[(10Z)-6-[(E)-2-[2,5-bis(N-naphthalen-2-ylanilino)-4-[(E)-prop-1-enyl]phenyl]ethenyl]-10-[cyano-(methylideneamino)methylidene]-2-methylanthracen-9-ylidene]-2-(methylideneamino)acetonitrile;3-[(E)-2-[2,5-di(carbazol-9-yl)-4-[(E)-prop-1-enyl]phenyl]ethenyl]-5,6,8-trimethyl-1,10-phenanthroline;2-[(E)-2-(4,5-dimethyl-3-pyridinyl)ethenyl]-1-N,4-N-dinaphthalen-2-yl-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;2-[(E)-2-(5-methyl-4-octylthiophen-2-yl)ethenyl]-1-N,1-N,4-N,4-N-tetraphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine has a molecular weight of 4697.30 g/mol, XLogP of 93.44, 71 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(4-hexylphenyl)-2-[(E)-2-[4-[2-(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine;1-N,4-N-bis(4-methylphenyl)-2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;(2E)-2-[(10Z)-6-[(E)-2-[2,5-bis(N-naphthalen-2-ylanilino)-4-[(E)-prop-1-enyl]phenyl]ethenyl]-10-[cyano-(methylideneamino)methylidene]-2-methylanthracen-9-ylidene]-2-(methylideneamino)acetonitrile;3-[(E)-2-[2,5-di(carbazol-9-yl)-4-[(E)-prop-1-enyl]phenyl]ethenyl]-5,6,8-trimethyl-1,10-phenanthroline;2-[(E)-2-(4,5-dimethyl-3-pyridinyl)ethenyl]-1-N,4-N-dinaphthalen-2-yl-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine;2-[(E)-2-(5-methyl-4-octylthiophen-2-yl)ethenyl]-1-N,1-N,4-N,4-N-tetraphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine is sourced from PubChem (CID 159404097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).