(2E)-3-(1H-benzimidazol-2-yl)-2-[[4-[bis(1,3-benzothiazol-2-yl)methylidene]-6-methylpyran-2-yl]methylidene]-N,N-diethylchromen-7-amine;2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]indene-1,3-dione;(2Z)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-oxobutanenitrile;(2E)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-phenyl-3H-inden-1-one;(2Z)-2-[(8E)-8-[6-ethyl-7-(ethylamino)-4-methylchromen-2-ylidene]-6,7-dihydro-5H-chromen-4-ylidene]propanenitrile

C159H147N11O14S2 — CID 158716080

IUPAC(2E)-3-(1H-benzimidazol-2-yl)-2-[[4-[bis(1,3-benzothiazol-2-yl)methylidene]-6-methylpyran-2-yl]methylidene]-N,N-diethylchromen-7-amine;2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]indene-1,3-dione;(2Z)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-oxobutanenitrile;(2E)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-phenyl-3H-inden-1-one;(2Z)-2-[(8E)-8-[6-ethyl-7-(ethylamino)-4-methylchromen-2-ylidene]-6,7-dihydro-5H-chromen-4-ylidene]propanenitrile
SMILESCCN(CC)c1ccc2c(c1)O/C(=C/C1=C/C(=C(/C#N)C(C)=O)C=C(C)O1)C=C2C.CCN(CC)c1ccc2c(c1)O/C(=C/C1=C/C(=C3/C(=O)c4ccccc4C3c3ccccc3)C=C(C)O1)C=C2C.CCN(CC)c1ccc2c(c1)O/C(=C/C1=CC(=C(c3nc4ccccc4s3)c3nc4ccccc4s3)C=C(C)O1)C(c1nc3ccccc3[nH]1)=C2.CCN(CC)c1ccc2c(c1)O/C(=C/C1=CC(=C3C(=O)c4ccccc4C3=O)C=C(C)O1)C=C2C.CCNc1cc2c(cc1CC)C(C)=C/C(=C1/CCCC3=C1OC=C/C3=C(\C)C#N)O2
InChIInChI=1S/C42H33N5O2S2.C36H33NO3.C30H27NO4.C26H28N2O2.C25H26N2O3/c1-4-47(5-2)28-19-18-26-22-30(40-43-31-12-6-7-13-32(31)44-40)36(49-35(26)23-28)24-29-21-27(20-25(3)48-29)39(41-45-33-14-8-10-16-37(33)50-41)42-46-34-15-9-11-17-38(34)51-42;1-5-37(6-2)27-16-17-30-23(3)18-28(40-33(30)21-27)22-29-20-26(19-24(4)39-29)35-34(25-12-8-7-9-13-25)31-14-10-11-15-32(31)36(35)38;1-5-31(6-2)21-11-12-24-18(3)13-22(35-27(24)16-21)17-23-15-20(14-19(4)34-23)28-29(32)25-9-7-8-10-26(25)30(28)33;1-5-18-13-22-16(3)12-24(30-25(22)14-23(18)28-6-2)21-9-7-8-20-19(17(4)15-27)10-11-29-26(20)21;1-6-27(7-2)20-8-9-23-16(3)10-21(30-25(23)13-20)14-22-12-19(11-17(4)29-22)24(15-26)18(5)28/h6-24H,4-5H2,1-3H3,(H,43,44);7-22,34H,5-6H2,1-4H3;7-17H,5-6H2,1-4H3;10-14,28H,5-9H2,1-4H3;8-14H,6-7H2,1-5H3/b36-24+;28-22+,35-26+;22-17+;19-17-,24-21+;21-14+,24-19-
InChIKeyIJIDGFRVGZAPBW-GXZATDKGSA-N
MW2500.12 g/mol
LogP37.52
Rot. Bonds24

About (2E)-3-(1H-benzimidazol-2-yl)-2-[[4-[bis(1,3-benzothiazol-2-yl)methylidene]-6-methylpyran-2-yl]methylidene]-N,N-diethylchromen-7-amine;2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]indene-1,3-dione;(2Z)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-oxobutanenitrile;(2E)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-phenyl-3H-inden-1-one;(2Z)-2-[(8E)-8-[6-ethyl-7-(ethylamino)-4-methylchromen-2-ylidene]-6,7-dihydro-5H-chromen-4-ylidene]propanenitrile

(2E)-3-(1H-benzimidazol-2-yl)-2-[[4-[bis(1,3-benzothiazol-2-yl)methylidene]-6-methylpyran-2-yl]methylidene]-N,N-diethylchromen-7-amine;2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]indene-1,3-dione;(2Z)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-oxobutanenitrile;(2E)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-phenyl-3H-inden-1-one;(2Z)-2-[(8E)-8-[6-ethyl-7-(ethylamino)-4-methylchromen-2-ylidene]-6,7-dihydro-5H-chromen-4-ylidene]propanenitrile (PubChem CID 158716080) has the molecular formula C159H147N11O14S2 and a molecular weight of 2500.12 g/mol. Its IUPAC name is (2E)-3-(1H-benzimidazol-2-yl)-2-[[4-[bis(1,3-benzothiazol-2-yl)methylidene]-6-methylpyran-2-yl]methylidene]-N,N-diethylchromen-7-amine;2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]indene-1,3-dione;(2Z)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-oxobutanenitrile;(2E)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-phenyl-3H-inden-1-one;(2Z)-2-[(8E)-8-[6-ethyl-7-(ethylamino)-4-methylchromen-2-ylidene]-6,7-dihydro-5H-chromen-4-ylidene]propanenitrile.

Molecular Properties

Compound Name(2E)-3-(1H-benzimidazol-2-yl)-2-[[4-[bis(1,3-benzothiazol-2-yl)methylidene]-6-methylpyran-2-yl]methylidene]-N,N-diethylchromen-7-amine;2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]indene-1,3-dione;(2Z)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-oxobutanenitrile;(2E)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-phenyl-3H-inden-1-one;(2Z)-2-[(8E)-8-[6-ethyl-7-(ethylamino)-4-methylchromen-2-ylidene]-6,7-dihydro-5H-chromen-4-ylidene]propanenitrile
PubChem CID158716080
Molecular FormulaC159H147N11O14S2
Molecular Weight2500.12 g/mol
Exact Mass2498.06
IUPAC Name(2E)-3-(1H-benzimidazol-2-yl)-2-[[4-[bis(1,3-benzothiazol-2-yl)methylidene]-6-methylpyran-2-yl]methylidene]-N,N-diethylchromen-7-amine;2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]indene-1,3-dione;(2Z)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-oxobutanenitrile;(2E)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-phenyl-3H-inden-1-one;(2Z)-2-[(8E)-8-[6-ethyl-7-(ethylamino)-4-methylchromen-2-ylidene]-6,7-dihydro-5H-chromen-4-ylidene]propanenitrile
SMILESCCN(CC)c1ccc2c(c1)O/C(=C/C1=C/C(=C(/C#N)C(C)=O)C=C(C)O1)C=C2C.CCN(CC)c1ccc2c(c1)O/C(=C/C1=C/C(=C3/C(=O)c4ccccc4C3c3ccccc3)C=C(C)O1)C=C2C.CCN(CC)c1ccc2c(c1)O/C(=C/C1=CC(=C(c3nc4ccccc4s3)c3nc4ccccc4s3)C=C(C)O1)C(c1nc3ccccc3[nH]1)=C2.CCN(CC)c1ccc2c(c1)O/C(=C/C1=CC(=C3C(=O)c4ccccc4C3=O)C=C(C)O1)C=C2C.CCNc1cc2c(cc1CC)C(C)=C/C(=C1/CCCC3=C1OC=C/C3=C(\C)C#N)O2
InChIInChI=1S/C42H33N5O2S2.C36H33NO3.C30H27NO4.C26H28N2O2.C25H26N2O3/c1-4-47(5-2)28-19-18-26-22-30(40-43-31-12-6-7-13-32(31)44-40)36(49-35(26)23-28)24-29-21-27(20-25(3)48-29)39(41-45-33-14-8-10-16-37(33)50-41)42-46-34-15-9-11-17-38(34)51-42;1-5-37(6-2)27-16-17-30-23(3)18-28(40-33(30)21-27)22-29-20-26(19-24(4)39-29)35-34(25-12-8-7-9-13-25)31-14-10-11-15-32(31)36(35)38;1-5-31(6-2)21-11-12-24-18(3)13-22(35-27(24)16-21)17-23-15-20(14-19(4)34-23)28-29(32)25-9-7-8-10-26(25)30(28)33;1-5-18-13-22-16(3)12-24(30-25(22)14-23(18)28-6-2)21-9-7-8-20-19(17(4)15-27)10-11-29-26(20)21;1-6-27(7-2)20-8-9-23-16(3)10-21(30-25(23)13-20)14-22-12-19(11-17(4)29-22)24(15-26)18(5)28/h6-24H,4-5H2,1-3H3,(H,43,44);7-22,34H,5-6H2,1-4H3;7-17H,5-6H2,1-4H3;10-14,28H,5-9H2,1-4H3;8-14H,6-7H2,1-5H3/b36-24+;28-22+,35-26+;22-17+;19-17-,24-21+;21-14+,24-19-
InChIKeyIJIDGFRVGZAPBW-GXZATDKGSA-N
XLogP37.52
TPSA287.61 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds24
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002500.12
LogP ≤ 537.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze (2E)-3-(1H-benzimidazol-2-yl)-2-[[4-[bis(1,3-benzothiazol-2-yl)methylidene]-6-methylpyran-2-yl]methylidene]-N,N-diethylchromen-7-amine;2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]indene-1,3-dione;(2Z)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-oxobutanenitrile;(2E)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-phenyl-3H-inden-1-one;(2Z)-2-[(8E)-8-[6-ethyl-7-(ethylamino)-4-methylchromen-2-ylidene]-6,7-dihydro-5H-chromen-4-ylidene]propanenitrile with MolForge

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Related Compounds

(2E)-3-(1H-benzimidazol-2-yl)-2-[[4-[bis(1,3-benzothiazol-2-yl)methylidene]-6-methylpyran-2-yl]methylidene]-N,N-diethylchromen-7-amine;2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]indene-1,3-dione;(2E)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-phenyl-3H-inden-1-one;(2Z)-2-[(8E)-8-[6-ethyl-7-(ethylamino)-4-methylchromen-2-ylidene]-6,7-dihydro-5H-chromen-4-ylidene]propanenitrile;methane;2-[2-methyl-6-[(E)-(6-methyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-ylidene)methyl]pyran-4-ylidene]indene-1,3-dione;(2E)-2-[2-methyl-6-[(E)-(6-methyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-ylidene)methyl]pyran-4-ylidene]-3H-inden-1-one
CID 158479778
N-ethyl-2-methylaniline;N-ethyl-2-methylbenzamide;ethyl 3-methylbenzoate;3-methylbenzamide;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-indole;N-(3-methylphenyl)acetamide;(4-methylphenyl) acetate
CID 158582855
(2E)-3-(1H-benzimidazol-2-yl)-2-[[4-[bis(1,3-benzothiazol-2-yl)methylidene]-6-methylpyran-2-yl]methylidene]-N,N-diethylchromen-7-amine;2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-[(7-benzylimino-4-methylchromen-2-yl)methylidene]-6-methylpyran-4-yl]acetonitrile;(2E)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-phenyl-3H-inden-1-one;ethyl (2Z)-2-cyano-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]acetate;2-[(8E)-8-[6-ethyl-7-(ethylamino)-4-methylchromen-2-ylidene]-6,7-dihydro-5H-chromen-4-ylidene]propanedinitrile
CID 159421404
(2E)-3-(1H-benzimidazol-2-yl)-2-[[4-[bis(1,3-benzothiazol-2-yl)methylidene]-6-methylpyran-2-yl]methylidene]-N-ethyl-N-methylchromen-7-amine;(4E)-4-[[(4Z)-4-[1-(1H-benzimidazol-2-yl)ethylidene]-6-methylpyran-2-yl]methylidene]-6-methyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraene;2-[[4-[1-(3H-1,3-benzothiazol-2-ylidene)ethyl]-6-methylpyran-2-ylidene]methyl]-N-benzyl-4-methylchromen-7-imine;ethyl (2Z)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]propanoate;methane
CID 159902875

Frequently Asked Questions

What is the IUPAC name of (2E)-3-(1H-benzimidazol-2-yl)-2-[[4-[bis(1,3-benzothiazol-2-yl)methylidene]-6-methylpyran-2-yl]methylidene]-N,N-diethylchromen-7-amine;2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]indene-1,3-dione;(2Z)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-oxobutanenitrile;(2E)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-phenyl-3H-inden-1-one;(2Z)-2-[(8E)-8-[6-ethyl-7-(ethylamino)-4-methylchromen-2-ylidene]-6,7-dihydro-5H-chromen-4-ylidene]propanenitrile?
The IUPAC name of (2E)-3-(1H-benzimidazol-2-yl)-2-[[4-[bis(1,3-benzothiazol-2-yl)methylidene]-6-methylpyran-2-yl]methylidene]-N,N-diethylchromen-7-amine;2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]indene-1,3-dione;(2Z)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-oxobutanenitrile;(2E)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-phenyl-3H-inden-1-one;(2Z)-2-[(8E)-8-[6-ethyl-7-(ethylamino)-4-methylchromen-2-ylidene]-6,7-dihydro-5H-chromen-4-ylidene]propanenitrile (CID 158716080) is (2E)-3-(1H-benzimidazol-2-yl)-2-[[4-[bis(1,3-benzothiazol-2-yl)methylidene]-6-methylpyran-2-yl]methylidene]-N,N-diethylchromen-7-amine;2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]indene-1,3-dione;(2Z)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-oxobutanenitrile;(2E)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-phenyl-3H-inden-1-one;(2Z)-2-[(8E)-8-[6-ethyl-7-(ethylamino)-4-methylchromen-2-ylidene]-6,7-dihydro-5H-chromen-4-ylidene]propanenitrile.
What is the SMILES notation for (2E)-3-(1H-benzimidazol-2-yl)-2-[[4-[bis(1,3-benzothiazol-2-yl)methylidene]-6-methylpyran-2-yl]methylidene]-N,N-diethylchromen-7-amine;2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]indene-1,3-dione;(2Z)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-oxobutanenitrile;(2E)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-phenyl-3H-inden-1-one;(2Z)-2-[(8E)-8-[6-ethyl-7-(ethylamino)-4-methylchromen-2-ylidene]-6,7-dihydro-5H-chromen-4-ylidene]propanenitrile?
The canonical SMILES for (2E)-3-(1H-benzimidazol-2-yl)-2-[[4-[bis(1,3-benzothiazol-2-yl)methylidene]-6-methylpyran-2-yl]methylidene]-N,N-diethylchromen-7-amine;2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]indene-1,3-dione;(2Z)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-oxobutanenitrile;(2E)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-phenyl-3H-inden-1-one;(2Z)-2-[(8E)-8-[6-ethyl-7-(ethylamino)-4-methylchromen-2-ylidene]-6,7-dihydro-5H-chromen-4-ylidene]propanenitrile is CCN(CC)c1ccc2c(c1)O/C(=C/C1=C/C(=C(/C#N)C(C)=O)C=C(C)O1)C=C2C.CCN(CC)c1ccc2c(c1)O/C(=C/C1=C/C(=C3/C(=O)c4ccccc4C3c3ccccc3)C=C(C)O1)C=C2C.CCN(CC)c1ccc2c(c1)O/C(=C/C1=CC(=C(c3nc4ccccc4s3)c3nc4ccccc4s3)C=C(C)O1)C(c1nc3ccccc3[nH]1)=C2.CCN(CC)c1ccc2c(c1)O/C(=C/C1=CC(=C3C(=O)c4ccccc4C3=O)C=C(C)O1)C=C2C.CCNc1cc2c(cc1CC)C(C)=C/C(=C1/CCCC3=C1OC=C/C3=C(\C)C#N)O2.
What is the InChIKey of (2E)-3-(1H-benzimidazol-2-yl)-2-[[4-[bis(1,3-benzothiazol-2-yl)methylidene]-6-methylpyran-2-yl]methylidene]-N,N-diethylchromen-7-amine;2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]indene-1,3-dione;(2Z)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-oxobutanenitrile;(2E)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-phenyl-3H-inden-1-one;(2Z)-2-[(8E)-8-[6-ethyl-7-(ethylamino)-4-methylchromen-2-ylidene]-6,7-dihydro-5H-chromen-4-ylidene]propanenitrile?
The InChIKey is IJIDGFRVGZAPBW-GXZATDKGSA-N. The full InChI is InChI=1S/C42H33N5O2S2.C36H33NO3.C30H27NO4.C26H28N2O2.C25H26N2O3/c1-4-47(5-2)28-19-18-26-22-30(40-43-31-12-6-7-13-32(31)44-40)36(49-35(26)23-28)24-29-21-27(20-25(3)48-29)39(41-45-33-14-8-10-16-37(33)50-41)42-46-34-15-9-11-17-38(34)51-42;1-5-37(6-2)27-16-17-30-23(3)18-28(40-33(30)21-27)22-29-20-26(19-24(4)39-29)35-34(25-12-8-7-9-13-25)31-14-10-11-15-32(31)36(35)38;1-5-31(6-2)21-11-12-24-18(3)13-22(35-27(24)16-21)17-23-15-20(14-19(4)34-23)28-29(32)25-9-7-8-10-26(25)30(28)33;1-5-18-13-22-16(3)12-24(30-25(22)14-23(18)28-6-2)21-9-7-8-20-19(17(4)15-27)10-11-29-26(20)21;1-6-27(7-2)20-8-9-23-16(3)10-21(30-25(23)13-20)14-22-12-19(11-17(4)29-22)24(15-26)18(5)28/h6-24H,4-5H2,1-3H3,(H,43,44);7-22,34H,5-6H2,1-4H3;7-17H,5-6H2,1-4H3;10-14,28H,5-9H2,1-4H3;8-14H,6-7H2,1-5H3/b36-24+;28-22+,35-26+;22-17+;19-17-,24-21+;21-14+,24-19-.
What are the key properties of (2E)-3-(1H-benzimidazol-2-yl)-2-[[4-[bis(1,3-benzothiazol-2-yl)methylidene]-6-methylpyran-2-yl]methylidene]-N,N-diethylchromen-7-amine;2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]indene-1,3-dione;(2Z)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-oxobutanenitrile;(2E)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-phenyl-3H-inden-1-one;(2Z)-2-[(8E)-8-[6-ethyl-7-(ethylamino)-4-methylchromen-2-ylidene]-6,7-dihydro-5H-chromen-4-ylidene]propanenitrile?
(2E)-3-(1H-benzimidazol-2-yl)-2-[[4-[bis(1,3-benzothiazol-2-yl)methylidene]-6-methylpyran-2-yl]methylidene]-N,N-diethylchromen-7-amine;2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]indene-1,3-dione;(2Z)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-oxobutanenitrile;(2E)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-phenyl-3H-inden-1-one;(2Z)-2-[(8E)-8-[6-ethyl-7-(ethylamino)-4-methylchromen-2-ylidene]-6,7-dihydro-5H-chromen-4-ylidene]propanenitrile has a molecular weight of 2500.12 g/mol, XLogP of 37.52, 24 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-(1H-benzimidazol-2-yl)-2-[[4-[bis(1,3-benzothiazol-2-yl)methylidene]-6-methylpyran-2-yl]methylidene]-N,N-diethylchromen-7-amine;2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]indene-1,3-dione;(2Z)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-oxobutanenitrile;(2E)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-phenyl-3H-inden-1-one;(2Z)-2-[(8E)-8-[6-ethyl-7-(ethylamino)-4-methylchromen-2-ylidene]-6,7-dihydro-5H-chromen-4-ylidene]propanenitrile is sourced from PubChem (CID 158716080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).