(2E)-2-[2-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]-6-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile

C200H158N20O6S — CID 159992221

IUPAC(2E)-2-[2-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]-6-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile
SMILES[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(C)C)cc2)OC(/C=C/c2ccc(N3c4ccccc4Oc4ccccc43)cc2)=C1.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(C)C)cc2)OC(/C=C/c2ccc(N3c4ccccc4Sc4ccccc43)cc2)=C1.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(CC)CC)cc2)OC(/C=C/c2ccc(-n3c4ccccc4c4ccccc43)cc2)=C1.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(CC)CC)cc2)OC(/C=C/c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)=C1.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(CC)CC)cc2)OC(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)=C1
InChIInChI=1S/C44H36N4O.C40H32N4O.C40H34N4O.C38H28N4O2.C38H28N4OS/c1-4-47(5-2)37-24-18-33(19-25-37)22-28-40-30-36(43(32-45)46-3)31-41(49-40)29-23-34-20-26-39(27-21-34)48(38-14-7-6-8-15-38)44-17-11-13-35-12-9-10-16-42(35)44;1-4-43(5-2)32-20-14-29(15-21-32)18-24-34-26-31(38(28-41)42-3)27-35(45-34)25-19-30-16-22-33(23-17-30)44-39-12-8-6-10-36(39)37-11-7-9-13-40(37)44;1-4-43(5-2)34-22-16-31(17-23-34)20-26-38-28-33(40(30-41)42-3)29-39(45-38)27-21-32-18-24-37(25-19-32)44(35-12-8-6-9-13-35)36-14-10-7-11-15-36;2*1-40-34(26-39)29-24-32(22-16-27-12-18-30(19-13-27)41(2)3)43-33(25-29)23-17-28-14-20-31(21-15-28)42-35-8-4-6-10-37(35)44-38-11-7-5-9-36(38)42/h6-31H,4-5H2,1-2H3;6-27H,4-5H2,1-2H3;6-29H,4-5H2,1-2H3;2*4-25H,2-3H3/b28-22+,29-23+,43-36+;24-18+,25-19+,38-31+;26-20+,27-21+,40-33+;2*22-16+,23-17+,34-29+
InChIKeyOHCDBAQSQRFGFE-FKYFBVPBSA-N
MW2969.66 g/mol
LogP50.91
Rot. Bonds40

About (2E)-2-[2-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]-6-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile

(2E)-2-[2-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]-6-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile (PubChem CID 159992221) has the molecular formula C200H158N20O6S and a molecular weight of 2969.66 g/mol. Its IUPAC name is (2E)-2-[2-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]-6-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile.

Molecular Properties

Compound Name(2E)-2-[2-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]-6-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile
PubChem CID159992221
Molecular FormulaC200H158N20O6S
Molecular Weight2969.66 g/mol
Exact Mass2967.24
IUPAC Name(2E)-2-[2-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]-6-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile
SMILES[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(C)C)cc2)OC(/C=C/c2ccc(N3c4ccccc4Oc4ccccc43)cc2)=C1.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(C)C)cc2)OC(/C=C/c2ccc(N3c4ccccc4Sc4ccccc43)cc2)=C1.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(CC)CC)cc2)OC(/C=C/c2ccc(-n3c4ccccc4c4ccccc43)cc2)=C1.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(CC)CC)cc2)OC(/C=C/c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)=C1.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(CC)CC)cc2)OC(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)=C1
InChIInChI=1S/C44H36N4O.C40H32N4O.C40H34N4O.C38H28N4O2.C38H28N4OS/c1-4-47(5-2)37-24-18-33(19-25-37)22-28-40-30-36(43(32-45)46-3)31-41(49-40)29-23-34-20-26-39(27-21-34)48(38-14-7-6-8-15-38)44-17-11-13-35-12-9-10-16-42(35)44;1-4-43(5-2)32-20-14-29(15-21-32)18-24-34-26-31(38(28-41)42-3)27-35(45-34)25-19-30-16-22-33(23-17-30)44-39-12-8-6-10-36(39)37-11-7-9-13-40(37)44;1-4-43(5-2)34-22-16-31(17-23-34)20-26-38-28-33(40(30-41)42-3)29-39(45-38)27-21-32-18-24-37(25-19-32)44(35-12-8-6-9-13-35)36-14-10-7-11-15-36;2*1-40-34(26-39)29-24-32(22-16-27-12-18-30(19-13-27)41(2)3)43-33(25-29)23-17-28-14-20-31(21-15-28)42-35-8-4-6-10-37(35)44-38-11-7-5-9-36(38)42/h6-31H,4-5H2,1-2H3;6-27H,4-5H2,1-2H3;6-29H,4-5H2,1-2H3;2*4-25H,2-3H3/b28-22+,29-23+,43-36+;24-18+,25-19+,38-31+;26-20+,27-21+,40-33+;2*22-16+,23-17+,34-29+
InChIKeyOHCDBAQSQRFGFE-FKYFBVPBSA-N
XLogP50.91
TPSA230.22 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds40
Heavy Atoms227
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002969.66
LogP ≤ 550.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze (2E)-2-[2-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]-6-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile with MolForge

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Related Compounds

(2E)-2-[2-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]-6-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile
CID 59700489
(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]-2-isocyanoacetonitrile;2-[(12,12-dimethyl-7-phenylbenzo[a]acridin-3-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12-dimethyl-7-phenylbenzo[a]acridin-3-yl)methylidene]indene-1,3-dione;(2E)-2-isocyano-2-[2-methyl-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyran-4-ylidene]acetonitrile;2-[[6-[naphthalen-1-yl(naphthalen-2-yl)amino]naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 160626407
2-[2-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]-6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyran-4-ylidene]propanedinitrile
CID 87508126
(2Z)-2-isocyano-2-[2-[(E)-2-(6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]acetonitrile
CID 59700476
3-[(E)-2-[(4E)-4-[cyano(isocyano)methylidene]-6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyran-2-yl]ethenyl]-7-(diethylamino)-2-oxochromene-4-carbonitrile
CID 23385437
9-[4-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-yl)phenyl]carbazole;10-[4-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-yl)phenyl]-9,9-dimethylacridine;10-[4-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-yl)phenyl]phenothiazine;10-[4-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-yl)phenyl]phenoxazine;N-naphthalen-1-yl-5',5'-diphenyl-N-(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-3-amine
CID 158429317
(2Z)-2-isocyano-2-[6-[(E)-2-[4-(4-methoxy-N-methylanilino)phenyl]ethenyl]-2-methyl-2-phenyl-3H-pyran-4-ylidene]acetonitrile;(2Z)-2-isocyano-2-[2-methyl-6-[(E)-2-[4-(N-methylanilino)phenyl]ethenyl]-2-phenyl-3H-pyran-4-ylidene]acetonitrile;(2Z)-2-isocyano-2-[2-methyl-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]-2-phenyl-3H-pyran-4-ylidene]acetonitrile;(2Z)-2-isocyano-2-[2-methyl-2-phenyl-6-[(E)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]ethenyl]-3H-pyran-4-ylidene]acetonitrile
CID 157367439
N-(4-carbazol-9-ylphenyl)-N-[4-(10-phenylphenothiazin-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(10-phenylphenothiazin-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(10-phenylphenothiazin-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(10-phenylphenothiazin-3-yl)phenyl]naphthalen-1-amine;N-naphthalen-1-yl-10-phenyl-N-[4-(10-phenylphenothiazin-3-yl)phenyl]phenoxazin-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(10-phenylphenothiazin-3-yl)phenyl]naphthalen-1-amine
CID 159537331
9-[3-carbazol-9-yl-5-(5-carbazol-9-yl-3-pyridinyl)phenyl]carbazole;5-(4-carbazol-9-ylphenyl)-N,N-diphenylpyridin-3-amine;5-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-phenylpyridin-3-amine;10-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenoxazine
CID 160893113
N,N-diphenyl-4-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline
CID 147912487
2-[2,6-bis[(E)-2-(9-methylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;ethane
CID 91435634
N-(4-methylphenyl)-9-(4-phenoxazin-10-ylphenyl)-N-(4-phenylphenyl)carbazol-4-amine
CID 130250366

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[2-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]-6-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile?
The IUPAC name of (2E)-2-[2-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]-6-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile (CID 159992221) is (2E)-2-[2-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]-6-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile.
What is the SMILES notation for (2E)-2-[2-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]-6-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile?
The canonical SMILES for (2E)-2-[2-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]-6-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile is [C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(C)C)cc2)OC(/C=C/c2ccc(N3c4ccccc4Oc4ccccc43)cc2)=C1.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(C)C)cc2)OC(/C=C/c2ccc(N3c4ccccc4Sc4ccccc43)cc2)=C1.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(CC)CC)cc2)OC(/C=C/c2ccc(-n3c4ccccc4c4ccccc43)cc2)=C1.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(CC)CC)cc2)OC(/C=C/c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)=C1.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(CC)CC)cc2)OC(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)=C1.
What is the InChIKey of (2E)-2-[2-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]-6-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile?
The InChIKey is OHCDBAQSQRFGFE-FKYFBVPBSA-N. The full InChI is InChI=1S/C44H36N4O.C40H32N4O.C40H34N4O.C38H28N4O2.C38H28N4OS/c1-4-47(5-2)37-24-18-33(19-25-37)22-28-40-30-36(43(32-45)46-3)31-41(49-40)29-23-34-20-26-39(27-21-34)48(38-14-7-6-8-15-38)44-17-11-13-35-12-9-10-16-42(35)44;1-4-43(5-2)32-20-14-29(15-21-32)18-24-34-26-31(38(28-41)42-3)27-35(45-34)25-19-30-16-22-33(23-17-30)44-39-12-8-6-10-36(39)37-11-7-9-13-40(37)44;1-4-43(5-2)34-22-16-31(17-23-34)20-26-38-28-33(40(30-41)42-3)29-39(45-38)27-21-32-18-24-37(25-19-32)44(35-12-8-6-9-13-35)36-14-10-7-11-15-36;2*1-40-34(26-39)29-24-32(22-16-27-12-18-30(19-13-27)41(2)3)43-33(25-29)23-17-28-14-20-31(21-15-28)42-35-8-4-6-10-37(35)44-38-11-7-5-9-36(38)42/h6-31H,4-5H2,1-2H3;6-27H,4-5H2,1-2H3;6-29H,4-5H2,1-2H3;2*4-25H,2-3H3/b28-22+,29-23+,43-36+;24-18+,25-19+,38-31+;26-20+,27-21+,40-33+;2*22-16+,23-17+,34-29+.
What are the key properties of (2E)-2-[2-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]-6-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile?
(2E)-2-[2-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]-6-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile has a molecular weight of 2969.66 g/mol, XLogP of 50.91, 40 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[2-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]-6-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile is sourced from PubChem (CID 159992221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).