[4-[[5-(N,2-dimethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2,6-dimethylphenyl)-ethylazanium;[4-[[5-(N-ethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium;ethyl-[4-[[5-(N-ethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-ethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;ethyl-[4-[[4-(N-ethylanilino)phenyl]-[4-isocyano-5-(N-methylanilino)-3-phenylthiophen-2-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;[4-[[5-(N-ethyl-2-methylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium;[4-[[5-(N-ethyl-2-nitroanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium

C286H253N25O2S6+6 — CID 159702335

IUPAC[4-[[5-(N,2-dimethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2,6-dimethylphenyl)-ethylazanium;[4-[[5-(N-ethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium;ethyl-[4-[[5-(N-ethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-ethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;ethyl-[4-[[4-(N-ethylanilino)phenyl]-[4-isocyano-5-(N-methylanilino)-3-phenylthiophen-2-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;[4-[[5-(N-ethyl-2-methylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium;[4-[[5-(N-ethyl-2-nitroanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium
SMILES[C-]#[N+]c1c(N(C)c2ccccc2)sc(C(=C2C=CC(=[N+](CC)c3ccccc3)C=C2)c2ccc(N(CC)c3ccccc3)cc2)c1-c1ccccc1.[C-]#[N+]c1c(N(C)c2ccccc2C)sc(C(=C2C=CC(=[N+](CC)c3c(C)cccc3C)C=C2)c2ccc(N(CC)c3c(C)cccc3C)cc2)c1-c1ccccc1.[C-]#[N+]c1c(N(CC)c2ccccc2)sc(C(=C2C=CC(=[N+](C)c3ccccc3)C=C2)c2ccc(N(C)c3ccccc3)cc2)c1-c1ccccc1.[C-]#[N+]c1c(N(CC)c2ccccc2)sc(C(=C2C=CC(=[N+](CC)c3ccccc3)C=C2)c2ccc(N(CC)c3ccccc3)cc2)c1-c1ccccc1.[C-]#[N+]c1c(N(CC)c2ccccc2C)sc(C(=C2C=CC(=[N+](C)c3ccccc3)C=C2)c2ccc(N(C)c3ccccc3)cc2)c1-c1ccccc1.[C-]#[N+]c1c(N(CC)c2ccccc2[N+](=O)[O-])sc(C(=C2C=CC(=[N+](C)c3ccccc3)C=C2)c2ccc(N(C)c3ccccc3)cc2)c1-c1ccccc1
InChIInChI=1S/C52H51N4S.C48H43N4S.2C47H41N4S.C46H38N5O2S.C46H39N4S/c1-10-55(49-36(4)20-17-21-37(49)5)43-31-27-41(28-32-43)46(42-29-33-44(34-30-42)56(11-2)50-38(6)22-18-23-39(50)7)51-47(40-24-13-12-14-25-40)48(53-8)52(57-51)54(9)45-26-16-15-19-35(45)3;1-5-50(39-22-14-9-15-23-39)42-32-28-37(29-33-42)44(38-30-34-43(35-31-38)51(6-2)40-24-16-10-17-25-40)47-45(36-20-12-8-13-21-36)46(49-4)48(53-47)52(7-3)41-26-18-11-19-27-41;1-6-51(42-25-17-16-18-34(42)2)47-45(48-3)44(35-19-10-7-11-20-35)46(52-47)43(36-26-30-40(31-27-36)49(4)38-21-12-8-13-22-38)37-28-32-41(33-29-37)50(5)39-23-14-9-15-24-39;1-5-50(39-23-15-9-16-24-39)41-31-27-36(28-32-41)43(37-29-33-42(34-30-37)51(6-2)40-25-17-10-18-26-40)46-44(35-19-11-7-12-20-35)45(48-3)47(52-46)49(4)38-21-13-8-14-22-38;1-5-50(40-23-15-16-24-41(40)51(52)53)46-44(47-2)43(33-17-9-6-10-18-33)45(54-46)42(34-25-29-38(30-26-34)48(3)36-19-11-7-12-20-36)35-27-31-39(32-28-35)49(4)37-21-13-8-14-22-37;1-5-50(41-24-16-9-17-25-41)46-44(47-2)43(34-18-10-6-11-19-34)45(51-46)42(35-26-30-39(31-27-35)48(3)37-20-12-7-13-21-37)36-28-32-40(33-29-36)49(4)38-22-14-8-15-23-38/h12-34H,10-11H2,1-7,9H3;8-35H,5-7H2,1-3H3;7-33H,6H2,1-2,4-5H3;7-34H,5-6H2,1-2,4H3;6-32H,5H2,1,3-4H3;6-33H,5H2,1,3-4H3/q6*+1
InChIKeyMXTZAVJTAYXWEL-UHFFFAOYSA-N
MW4264.74 g/mol
LogP76.73
Rot. Bonds59

About [4-[[5-(N,2-dimethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2,6-dimethylphenyl)-ethylazanium;[4-[[5-(N-ethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium;ethyl-[4-[[5-(N-ethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-ethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;ethyl-[4-[[4-(N-ethylanilino)phenyl]-[4-isocyano-5-(N-methylanilino)-3-phenylthiophen-2-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;[4-[[5-(N-ethyl-2-methylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium;[4-[[5-(N-ethyl-2-nitroanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium

[4-[[5-(N,2-dimethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2,6-dimethylphenyl)-ethylazanium;[4-[[5-(N-ethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium;ethyl-[4-[[5-(N-ethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-ethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;ethyl-[4-[[4-(N-ethylanilino)phenyl]-[4-isocyano-5-(N-methylanilino)-3-phenylthiophen-2-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;[4-[[5-(N-ethyl-2-methylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium;[4-[[5-(N-ethyl-2-nitroanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium (PubChem CID 159702335) has the molecular formula C286H253N25O2S6+6 and a molecular weight of 4264.74 g/mol. Its IUPAC name is [4-[[5-(N,2-dimethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2,6-dimethylphenyl)-ethylazanium;[4-[[5-(N-ethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium;ethyl-[4-[[5-(N-ethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-ethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;ethyl-[4-[[4-(N-ethylanilino)phenyl]-[4-isocyano-5-(N-methylanilino)-3-phenylthiophen-2-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;[4-[[5-(N-ethyl-2-methylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium;[4-[[5-(N-ethyl-2-nitroanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium.

Molecular Properties

Compound Name[4-[[5-(N,2-dimethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2,6-dimethylphenyl)-ethylazanium;[4-[[5-(N-ethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium;ethyl-[4-[[5-(N-ethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-ethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;ethyl-[4-[[4-(N-ethylanilino)phenyl]-[4-isocyano-5-(N-methylanilino)-3-phenylthiophen-2-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;[4-[[5-(N-ethyl-2-methylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium;[4-[[5-(N-ethyl-2-nitroanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium
PubChem CID159702335
Molecular FormulaC286H253N25O2S6+6
Molecular Weight4264.74 g/mol
Exact Mass4260.88
IUPAC Name[4-[[5-(N,2-dimethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2,6-dimethylphenyl)-ethylazanium;[4-[[5-(N-ethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium;ethyl-[4-[[5-(N-ethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-ethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;ethyl-[4-[[4-(N-ethylanilino)phenyl]-[4-isocyano-5-(N-methylanilino)-3-phenylthiophen-2-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;[4-[[5-(N-ethyl-2-methylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium;[4-[[5-(N-ethyl-2-nitroanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium
SMILES[C-]#[N+]c1c(N(C)c2ccccc2)sc(C(=C2C=CC(=[N+](CC)c3ccccc3)C=C2)c2ccc(N(CC)c3ccccc3)cc2)c1-c1ccccc1.[C-]#[N+]c1c(N(C)c2ccccc2C)sc(C(=C2C=CC(=[N+](CC)c3c(C)cccc3C)C=C2)c2ccc(N(CC)c3c(C)cccc3C)cc2)c1-c1ccccc1.[C-]#[N+]c1c(N(CC)c2ccccc2)sc(C(=C2C=CC(=[N+](C)c3ccccc3)C=C2)c2ccc(N(C)c3ccccc3)cc2)c1-c1ccccc1.[C-]#[N+]c1c(N(CC)c2ccccc2)sc(C(=C2C=CC(=[N+](CC)c3ccccc3)C=C2)c2ccc(N(CC)c3ccccc3)cc2)c1-c1ccccc1.[C-]#[N+]c1c(N(CC)c2ccccc2C)sc(C(=C2C=CC(=[N+](C)c3ccccc3)C=C2)c2ccc(N(C)c3ccccc3)cc2)c1-c1ccccc1.[C-]#[N+]c1c(N(CC)c2ccccc2[N+](=O)[O-])sc(C(=C2C=CC(=[N+](C)c3ccccc3)C=C2)c2ccc(N(C)c3ccccc3)cc2)c1-c1ccccc1
InChIInChI=1S/C52H51N4S.C48H43N4S.2C47H41N4S.C46H38N5O2S.C46H39N4S/c1-10-55(49-36(4)20-17-21-37(49)5)43-31-27-41(28-32-43)46(42-29-33-44(34-30-42)56(11-2)50-38(6)22-18-23-39(50)7)51-47(40-24-13-12-14-25-40)48(53-8)52(57-51)54(9)45-26-16-15-19-35(45)3;1-5-50(39-22-14-9-15-23-39)42-32-28-37(29-33-42)44(38-30-34-43(35-31-38)51(6-2)40-24-16-10-17-25-40)47-45(36-20-12-8-13-21-36)46(49-4)48(53-47)52(7-3)41-26-18-11-19-27-41;1-6-51(42-25-17-16-18-34(42)2)47-45(48-3)44(35-19-10-7-11-20-35)46(52-47)43(36-26-30-40(31-27-36)49(4)38-21-12-8-13-22-38)37-28-32-41(33-29-37)50(5)39-23-14-9-15-24-39;1-5-50(39-23-15-9-16-24-39)41-31-27-36(28-32-41)43(37-29-33-42(34-30-37)51(6-2)40-25-17-10-18-26-40)46-44(35-19-11-7-12-20-35)45(48-3)47(52-46)49(4)38-21-13-8-14-22-38;1-5-50(40-23-15-16-24-41(40)51(52)53)46-44(47-2)43(33-17-9-6-10-18-33)45(54-46)42(34-25-29-38(30-26-34)48(3)36-19-11-7-12-20-36)35-27-31-39(32-28-35)49(4)37-21-13-8-14-22-37;1-5-50(41-24-16-9-17-25-41)46-44(47-2)43(34-18-10-6-11-19-34)45(51-46)42(35-26-30-39(31-27-35)48(3)37-20-12-7-13-21-37)36-28-32-40(33-29-36)49(4)38-22-14-8-15-23-38/h12-34H,10-11H2,1-7,9H3;8-35H,5-7H2,1-3H3;7-33H,6H2,1-2,4-5H3;7-34H,5-6H2,1-2,4H3;6-32H,5H2,1,3-4H3;6-33H,5H2,1,3-4H3/q6*+1
InChIKeyMXTZAVJTAYXWEL-UHFFFAOYSA-N
XLogP76.73
TPSA126.24 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds59
Heavy Atoms319
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004264.74
LogP ≤ 576.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze [4-[[5-(N,2-dimethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2,6-dimethylphenyl)-ethylazanium;[4-[[5-(N-ethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium;ethyl-[4-[[5-(N-ethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-ethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;ethyl-[4-[[4-(N-ethylanilino)phenyl]-[4-isocyano-5-(N-methylanilino)-3-phenylthiophen-2-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;[4-[[5-(N-ethyl-2-methylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium;[4-[[5-(N-ethyl-2-nitroanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium with MolForge

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Related Compounds

ethyl-[4-[[4-(N-ethylanilino)phenyl]-[4-isocyano-5-(N-(2-nitrophenyl)anilino)-3-phenylthiophen-2-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium
CID 140781825
[5-[bis[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]-3-cyano-4-phenylthiophen-2-ylidene]-ethyl-(2-nitrophenyl)azanium
CID 126539240
ethyl-[4-[[4-(N-ethylanilino)phenyl]-(2-sulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium
CID 159223784
[5-[bis[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]-3-cyano-4-phenylthiophen-2-ylidene]-(2-nitrophenyl)-phenylazanium
CID 126539583
butyl-[4-[[4-(N-butyl-2,6-dimethylanilino)phenyl]-(2-sulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-(2,6-dimethylphenyl)azanium
CID 158976094
1-[5-(N-ethyl-2-methylanilino)-4-nitrothiophen-2-yl]ethanol
CID 115964357
ethyl-[4-[[4-(N-ethyl-2,4,6-trimethylanilino)phenyl]-[4-[[4-[[4-[[4-[[4-(N-ethyl-2,4,6-trimethylanilino)phenyl]-[4-[ethyl-(2,4,6-trimethylphenyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]naphthalen-1-yl]methyl]cyclohexyl]methyl]cyclohexyl]methyl]naphthalen-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2,4,6-trimethylphenyl)azanium dichloride
CID 160772357
[4-amino-2-(N-ethylanilino)-1,3-thiazol-5-yl]-(2-nitrophenyl)methanone
CID 174379384
3-(N-ethylanilino)-4-nitrobenzoic acid
CID 82769870
3-N-ethyl-3-N-(2-methylphenyl)-2-nitrobenzene-1,3-diamine
CID 80754221
N-ethyl-5,5,8,8-tetramethyl-N-(2-nitrophenyl)-6,7-dihydronaphthalen-2-amine
CID 10713006
2-[[4-[phenyl(propyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-[4-(N-propylanilino)phenyl]methyl]benzenesulfonate
CID 162457938

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(N,2-dimethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2,6-dimethylphenyl)-ethylazanium;[4-[[5-(N-ethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium;ethyl-[4-[[5-(N-ethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-ethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;ethyl-[4-[[4-(N-ethylanilino)phenyl]-[4-isocyano-5-(N-methylanilino)-3-phenylthiophen-2-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;[4-[[5-(N-ethyl-2-methylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium;[4-[[5-(N-ethyl-2-nitroanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium?
The IUPAC name of [4-[[5-(N,2-dimethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2,6-dimethylphenyl)-ethylazanium;[4-[[5-(N-ethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium;ethyl-[4-[[5-(N-ethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-ethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;ethyl-[4-[[4-(N-ethylanilino)phenyl]-[4-isocyano-5-(N-methylanilino)-3-phenylthiophen-2-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;[4-[[5-(N-ethyl-2-methylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium;[4-[[5-(N-ethyl-2-nitroanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium (CID 159702335) is [4-[[5-(N,2-dimethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2,6-dimethylphenyl)-ethylazanium;[4-[[5-(N-ethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium;ethyl-[4-[[5-(N-ethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-ethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;ethyl-[4-[[4-(N-ethylanilino)phenyl]-[4-isocyano-5-(N-methylanilino)-3-phenylthiophen-2-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;[4-[[5-(N-ethyl-2-methylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium;[4-[[5-(N-ethyl-2-nitroanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium.
What is the SMILES notation for [4-[[5-(N,2-dimethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2,6-dimethylphenyl)-ethylazanium;[4-[[5-(N-ethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium;ethyl-[4-[[5-(N-ethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-ethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;ethyl-[4-[[4-(N-ethylanilino)phenyl]-[4-isocyano-5-(N-methylanilino)-3-phenylthiophen-2-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;[4-[[5-(N-ethyl-2-methylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium;[4-[[5-(N-ethyl-2-nitroanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium?
The canonical SMILES for [4-[[5-(N,2-dimethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2,6-dimethylphenyl)-ethylazanium;[4-[[5-(N-ethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium;ethyl-[4-[[5-(N-ethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-ethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;ethyl-[4-[[4-(N-ethylanilino)phenyl]-[4-isocyano-5-(N-methylanilino)-3-phenylthiophen-2-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;[4-[[5-(N-ethyl-2-methylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium;[4-[[5-(N-ethyl-2-nitroanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium is [C-]#[N+]c1c(N(C)c2ccccc2)sc(C(=C2C=CC(=[N+](CC)c3ccccc3)C=C2)c2ccc(N(CC)c3ccccc3)cc2)c1-c1ccccc1.[C-]#[N+]c1c(N(C)c2ccccc2C)sc(C(=C2C=CC(=[N+](CC)c3c(C)cccc3C)C=C2)c2ccc(N(CC)c3c(C)cccc3C)cc2)c1-c1ccccc1.[C-]#[N+]c1c(N(CC)c2ccccc2)sc(C(=C2C=CC(=[N+](C)c3ccccc3)C=C2)c2ccc(N(C)c3ccccc3)cc2)c1-c1ccccc1.[C-]#[N+]c1c(N(CC)c2ccccc2)sc(C(=C2C=CC(=[N+](CC)c3ccccc3)C=C2)c2ccc(N(CC)c3ccccc3)cc2)c1-c1ccccc1.[C-]#[N+]c1c(N(CC)c2ccccc2C)sc(C(=C2C=CC(=[N+](C)c3ccccc3)C=C2)c2ccc(N(C)c3ccccc3)cc2)c1-c1ccccc1.[C-]#[N+]c1c(N(CC)c2ccccc2[N+](=O)[O-])sc(C(=C2C=CC(=[N+](C)c3ccccc3)C=C2)c2ccc(N(C)c3ccccc3)cc2)c1-c1ccccc1.
What is the InChIKey of [4-[[5-(N,2-dimethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2,6-dimethylphenyl)-ethylazanium;[4-[[5-(N-ethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium;ethyl-[4-[[5-(N-ethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-ethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;ethyl-[4-[[4-(N-ethylanilino)phenyl]-[4-isocyano-5-(N-methylanilino)-3-phenylthiophen-2-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;[4-[[5-(N-ethyl-2-methylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium;[4-[[5-(N-ethyl-2-nitroanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium?
The InChIKey is MXTZAVJTAYXWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H51N4S.C48H43N4S.2C47H41N4S.C46H38N5O2S.C46H39N4S/c1-10-55(49-36(4)20-17-21-37(49)5)43-31-27-41(28-32-43)46(42-29-33-44(34-30-42)56(11-2)50-38(6)22-18-23-39(50)7)51-47(40-24-13-12-14-25-40)48(53-8)52(57-51)54(9)45-26-16-15-19-35(45)3;1-5-50(39-22-14-9-15-23-39)42-32-28-37(29-33-42)44(38-30-34-43(35-31-38)51(6-2)40-24-16-10-17-25-40)47-45(36-20-12-8-13-21-36)46(49-4)48(53-47)52(7-3)41-26-18-11-19-27-41;1-6-51(42-25-17-16-18-34(42)2)47-45(48-3)44(35-19-10-7-11-20-35)46(52-47)43(36-26-30-40(31-27-36)49(4)38-21-12-8-13-22-38)37-28-32-41(33-29-37)50(5)39-23-14-9-15-24-39;1-5-50(39-23-15-9-16-24-39)41-31-27-36(28-32-41)43(37-29-33-42(34-30-37)51(6-2)40-25-17-10-18-26-40)46-44(35-19-11-7-12-20-35)45(48-3)47(52-46)49(4)38-21-13-8-14-22-38;1-5-50(40-23-15-16-24-41(40)51(52)53)46-44(47-2)43(33-17-9-6-10-18-33)45(54-46)42(34-25-29-38(30-26-34)48(3)36-19-11-7-12-20-36)35-27-31-39(32-28-35)49(4)37-21-13-8-14-22-37;1-5-50(41-24-16-9-17-25-41)46-44(47-2)43(34-18-10-6-11-19-34)45(51-46)42(35-26-30-39(31-27-35)48(3)37-20-12-7-13-21-37)36-28-32-40(33-29-36)49(4)38-22-14-8-15-23-38/h12-34H,10-11H2,1-7,9H3;8-35H,5-7H2,1-3H3;7-33H,6H2,1-2,4-5H3;7-34H,5-6H2,1-2,4H3;6-32H,5H2,1,3-4H3;6-33H,5H2,1,3-4H3/q6*+1.
What are the key properties of [4-[[5-(N,2-dimethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2,6-dimethylphenyl)-ethylazanium;[4-[[5-(N-ethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium;ethyl-[4-[[5-(N-ethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-ethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;ethyl-[4-[[4-(N-ethylanilino)phenyl]-[4-isocyano-5-(N-methylanilino)-3-phenylthiophen-2-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;[4-[[5-(N-ethyl-2-methylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium;[4-[[5-(N-ethyl-2-nitroanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium?
[4-[[5-(N,2-dimethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2,6-dimethylphenyl)-ethylazanium;[4-[[5-(N-ethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium;ethyl-[4-[[5-(N-ethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-ethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;ethyl-[4-[[4-(N-ethylanilino)phenyl]-[4-isocyano-5-(N-methylanilino)-3-phenylthiophen-2-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;[4-[[5-(N-ethyl-2-methylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium;[4-[[5-(N-ethyl-2-nitroanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium has a molecular weight of 4264.74 g/mol, XLogP of 76.73, 59 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(N,2-dimethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2,6-dimethylphenyl)-ethylazanium;[4-[[5-(N-ethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium;ethyl-[4-[[5-(N-ethylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-ethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;ethyl-[4-[[4-(N-ethylanilino)phenyl]-[4-isocyano-5-(N-methylanilino)-3-phenylthiophen-2-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;[4-[[5-(N-ethyl-2-methylanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium;[4-[[5-(N-ethyl-2-nitroanilino)-4-isocyano-3-phenylthiophen-2-yl]-[4-(N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methyl-phenylazanium is sourced from PubChem (CID 159702335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).