(2E)-2-(1H-benzimidazol-2-yl)-2-[3-(7-benzo[b][1]benzazepin-11-yl-4-methyl-2-oxochromen-3-yl)cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1H-benzimidazol-2-yl)-2-[3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1H-benzimidazol-2-yl)-2-[5,5-dimethyl-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1,3-benzoxazol-2-yl)-2-[5,5-dimethyl-3-[7-(N-(3-methylphenyl)anilino)-2-oxochromen-3-yl]cyclohex-2-en-1-ylidene]acetonitrile

C139H117N15O9 — CID 160925308

IUPAC(2E)-2-(1H-benzimidazol-2-yl)-2-[3-(7-benzo[b][1]benzazepin-11-yl-4-methyl-2-oxochromen-3-yl)cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1H-benzimidazol-2-yl)-2-[3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1H-benzimidazol-2-yl)-2-[5,5-dimethyl-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1,3-benzoxazol-2-yl)-2-[5,5-dimethyl-3-[7-(N-(3-methylphenyl)anilino)-2-oxochromen-3-yl]cyclohex-2-en-1-ylidene]acetonitrile
SMILESCC1(C)CC(c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)=C/C(=C(\C#N)c2nc3ccccc3[nH]2)C1.CCN(CC)c1ccc2c(C)c(C3=C/C(=C(\C#N)c4nc5ccccc5[nH]4)CCC3)c(=O)oc2c1.Cc1c(C2=C/C(=C(\C#N)c3nc4ccccc4[nH]3)CCC2)c(=O)oc2cc(N3c4ccccc4C=Cc4ccccc43)ccc12.Cc1cccc(N(c2ccccc2)c2ccc3cc(C4=C/C(=C(\C#N)c5nc6ccccc6o5)CC(C)(C)C4)c(=O)oc3c2)c1
InChIInChI=1S/C39H28N4O2.C39H31N3O3.C32H30N4O2.C29H28N4O2/c1-24-30-20-19-29(43-34-15-6-2-9-25(34)17-18-26-10-3-7-16-35(26)43)22-36(30)45-39(44)37(24)28-12-8-11-27(21-28)31(23-40)38-41-32-13-4-5-14-33(32)42-38;1-25-10-9-13-30(18-25)42(29-11-5-4-6-12-29)31-17-16-26-20-32(38(43)45-36(26)21-31)27-19-28(23-39(2,3)22-27)33(24-40)37-41-34-14-7-8-15-35(34)44-37;1-32(2)16-21(14-22(17-32)25(18-33)30-34-26-9-3-4-10-27(26)35-30)24-15-20-13-19-7-5-11-36-12-6-8-23(28(19)36)29(20)38-31(24)37;1-4-33(5-2)21-13-14-22-18(3)27(29(34)35-26(22)16-21)20-10-8-9-19(15-20)23(17-30)28-31-24-11-6-7-12-25(24)32-28/h2-7,9-10,13-22H,8,11-12H2,1H3,(H,41,42);4-21H,22-23H2,1-3H3;3-4,9-10,13-15H,5-8,11-12,16-17H2,1-2H3,(H,34,35);6-7,11-16H,4-5,8-10H2,1-3H3,(H,31,32)/b31-27+;33-28-;25-22-;23-19+
InChIKeySSODZYUYLVHMOC-URFBJIBTSA-N
MW2141.56 g/mol
LogP32.29
Rot. Bonds15

About (2E)-2-(1H-benzimidazol-2-yl)-2-[3-(7-benzo[b][1]benzazepin-11-yl-4-methyl-2-oxochromen-3-yl)cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1H-benzimidazol-2-yl)-2-[3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1H-benzimidazol-2-yl)-2-[5,5-dimethyl-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1,3-benzoxazol-2-yl)-2-[5,5-dimethyl-3-[7-(N-(3-methylphenyl)anilino)-2-oxochromen-3-yl]cyclohex-2-en-1-ylidene]acetonitrile

(2E)-2-(1H-benzimidazol-2-yl)-2-[3-(7-benzo[b][1]benzazepin-11-yl-4-methyl-2-oxochromen-3-yl)cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1H-benzimidazol-2-yl)-2-[3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1H-benzimidazol-2-yl)-2-[5,5-dimethyl-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1,3-benzoxazol-2-yl)-2-[5,5-dimethyl-3-[7-(N-(3-methylphenyl)anilino)-2-oxochromen-3-yl]cyclohex-2-en-1-ylidene]acetonitrile (PubChem CID 160925308) has the molecular formula C139H117N15O9 and a molecular weight of 2141.56 g/mol. Its IUPAC name is (2E)-2-(1H-benzimidazol-2-yl)-2-[3-(7-benzo[b][1]benzazepin-11-yl-4-methyl-2-oxochromen-3-yl)cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1H-benzimidazol-2-yl)-2-[3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1H-benzimidazol-2-yl)-2-[5,5-dimethyl-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1,3-benzoxazol-2-yl)-2-[5,5-dimethyl-3-[7-(N-(3-methylphenyl)anilino)-2-oxochromen-3-yl]cyclohex-2-en-1-ylidene]acetonitrile.

Molecular Properties

Compound Name(2E)-2-(1H-benzimidazol-2-yl)-2-[3-(7-benzo[b][1]benzazepin-11-yl-4-methyl-2-oxochromen-3-yl)cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1H-benzimidazol-2-yl)-2-[3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1H-benzimidazol-2-yl)-2-[5,5-dimethyl-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1,3-benzoxazol-2-yl)-2-[5,5-dimethyl-3-[7-(N-(3-methylphenyl)anilino)-2-oxochromen-3-yl]cyclohex-2-en-1-ylidene]acetonitrile
PubChem CID160925308
Molecular FormulaC139H117N15O9
Molecular Weight2141.56 g/mol
Exact Mass2139.92
IUPAC Name(2E)-2-(1H-benzimidazol-2-yl)-2-[3-(7-benzo[b][1]benzazepin-11-yl-4-methyl-2-oxochromen-3-yl)cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1H-benzimidazol-2-yl)-2-[3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1H-benzimidazol-2-yl)-2-[5,5-dimethyl-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1,3-benzoxazol-2-yl)-2-[5,5-dimethyl-3-[7-(N-(3-methylphenyl)anilino)-2-oxochromen-3-yl]cyclohex-2-en-1-ylidene]acetonitrile
SMILESCC1(C)CC(c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)=C/C(=C(\C#N)c2nc3ccccc3[nH]2)C1.CCN(CC)c1ccc2c(C)c(C3=C/C(=C(\C#N)c4nc5ccccc5[nH]4)CCC3)c(=O)oc2c1.Cc1c(C2=C/C(=C(\C#N)c3nc4ccccc4[nH]3)CCC2)c(=O)oc2cc(N3c4ccccc4C=Cc4ccccc43)ccc12.Cc1cccc(N(c2ccccc2)c2ccc3cc(C4=C/C(=C(\C#N)c5nc6ccccc6o5)CC(C)(C)C4)c(=O)oc3c2)c1
InChIInChI=1S/C39H28N4O2.C39H31N3O3.C32H30N4O2.C29H28N4O2/c1-24-30-20-19-29(43-34-15-6-2-9-25(34)17-18-26-10-3-7-16-35(26)43)22-36(30)45-39(44)37(24)28-12-8-11-27(21-28)31(23-40)38-41-32-13-4-5-14-33(32)42-38;1-25-10-9-13-30(18-25)42(29-11-5-4-6-12-29)31-17-16-26-20-32(38(43)45-36(26)21-31)27-19-28(23-39(2,3)22-27)33(24-40)37-41-34-14-7-8-15-35(34)44-37;1-32(2)16-21(14-22(17-32)25(18-33)30-34-26-9-3-4-10-27(26)35-30)24-15-20-13-19-7-5-11-36-12-6-8-23(28(19)36)29(20)38-31(24)37;1-4-33(5-2)21-13-14-22-18(3)27(29(34)35-26(22)16-21)20-10-8-9-19(15-20)23(17-30)28-31-24-11-6-7-12-25(24)32-28/h2-7,9-10,13-22H,8,11-12H2,1H3,(H,41,42);4-21H,22-23H2,1-3H3;3-4,9-10,13-15H,5-8,11-12,16-17H2,1-2H3,(H,34,35);6-7,11-16H,4-5,8-10H2,1-3H3,(H,31,32)/b31-27+;33-28-;25-22-;23-19+
InChIKeySSODZYUYLVHMOC-URFBJIBTSA-N
XLogP32.29
TPSA341.03 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002141.56
LogP ≤ 532.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze (2E)-2-(1H-benzimidazol-2-yl)-2-[3-(7-benzo[b][1]benzazepin-11-yl-4-methyl-2-oxochromen-3-yl)cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1H-benzimidazol-2-yl)-2-[3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1H-benzimidazol-2-yl)-2-[5,5-dimethyl-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1,3-benzoxazol-2-yl)-2-[5,5-dimethyl-3-[7-(N-(3-methylphenyl)anilino)-2-oxochromen-3-yl]cyclohex-2-en-1-ylidene]acetonitrile with MolForge

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Related Compounds

2-(1H-benzimidazol-2-yl)-2-[5,5-dimethyl-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)cyclohex-2-en-1-ylidene]acetonitrile
CID 74058779
(2E)-2-(1H-benzimidazol-2-yl)-2-[4,4-dimethyl-7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-3,4a,5,6-tetrahydronaphthalen-2-ylidene]acetonitrile
CID 89333192
(2Z)-2-[2-[(E)-2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-6-methylpyran-4-ylidene]-2-isocyanoacetonitrile;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;5-(1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-[(E)-2-[6-tert-butyl-4-(diisocyanomethylidene)pyran-2-yl]ethenyl]-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]aniline;2,5,8,11-tetratert-butylperylene
CID 159757797
3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;5-(1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;2-isocyano-4,5-bis(4-phenoxazin-10-ylphenyl)benzonitrile;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine
CID 167595054
(2Z)-2-[2-[(E)-2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-6-methylpyran-4-ylidene]-2-isocyanoacetonitrile;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;9-(1,3-benzothiazol-2-yl)-1,1,6,6-tetramethyl-3,3a,4,5-tetrahydro-2H-phenaleno[1,2-b]pyran-10-one;(2Z)-2-[2-tert-butyl-6-[(E)-2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]aniline;2,5,8,11-tetratert-butylperylene
CID 158828272
CID 158506654
CID 158506654
3-(1H-benzimidazol-2-yl)-7-(diethylamino)chromen-2-one;3-(1H-benzimidazol-2-yl)-7-(N-phenylanilino)chromen-2-one;3-(1,3-benzothiazol-2-yl)-7-(N-phenylanilino)chromen-2-one;ethyl 2-oxo-7-(N-phenylanilino)chromene-3-carboxylate;2-oxo-7-(N-phenylanilino)chromene-3-carboxylic acid
CID 157229174
CID 162083046
CID 162083046
2-[3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)cyclohex-2-en-1-ylidene]indene-1,3-dione
CID 23522334
7-(diethylamino)-3-[4-[6-[3-[7-(diethylamino)-2-oxochromen-3-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]chromen-2-one;2-[6-(3-oxobenzo[f]chromen-2-yl)-9-phenylcarbazol-3-yl]benzo[f]chromen-3-one;10,10,16,16-tetramethyl-5-[4-[9-phenyl-6-[3-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)phenyl]carbazol-3-yl]phenyl]-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one
CID 160752011
5-[(E)-3-[4-(diethylamino)phenyl]prop-2-enoyl]-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one
CID 15702303
3-(1H-benzimidazol-2-yl)-7-(diethylamino)chromen-2-one;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one
CID 146405991

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(1H-benzimidazol-2-yl)-2-[3-(7-benzo[b][1]benzazepin-11-yl-4-methyl-2-oxochromen-3-yl)cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1H-benzimidazol-2-yl)-2-[3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1H-benzimidazol-2-yl)-2-[5,5-dimethyl-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1,3-benzoxazol-2-yl)-2-[5,5-dimethyl-3-[7-(N-(3-methylphenyl)anilino)-2-oxochromen-3-yl]cyclohex-2-en-1-ylidene]acetonitrile?
The IUPAC name of (2E)-2-(1H-benzimidazol-2-yl)-2-[3-(7-benzo[b][1]benzazepin-11-yl-4-methyl-2-oxochromen-3-yl)cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1H-benzimidazol-2-yl)-2-[3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1H-benzimidazol-2-yl)-2-[5,5-dimethyl-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1,3-benzoxazol-2-yl)-2-[5,5-dimethyl-3-[7-(N-(3-methylphenyl)anilino)-2-oxochromen-3-yl]cyclohex-2-en-1-ylidene]acetonitrile (CID 160925308) is (2E)-2-(1H-benzimidazol-2-yl)-2-[3-(7-benzo[b][1]benzazepin-11-yl-4-methyl-2-oxochromen-3-yl)cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1H-benzimidazol-2-yl)-2-[3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1H-benzimidazol-2-yl)-2-[5,5-dimethyl-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1,3-benzoxazol-2-yl)-2-[5,5-dimethyl-3-[7-(N-(3-methylphenyl)anilino)-2-oxochromen-3-yl]cyclohex-2-en-1-ylidene]acetonitrile.
What is the SMILES notation for (2E)-2-(1H-benzimidazol-2-yl)-2-[3-(7-benzo[b][1]benzazepin-11-yl-4-methyl-2-oxochromen-3-yl)cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1H-benzimidazol-2-yl)-2-[3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1H-benzimidazol-2-yl)-2-[5,5-dimethyl-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1,3-benzoxazol-2-yl)-2-[5,5-dimethyl-3-[7-(N-(3-methylphenyl)anilino)-2-oxochromen-3-yl]cyclohex-2-en-1-ylidene]acetonitrile?
The canonical SMILES for (2E)-2-(1H-benzimidazol-2-yl)-2-[3-(7-benzo[b][1]benzazepin-11-yl-4-methyl-2-oxochromen-3-yl)cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1H-benzimidazol-2-yl)-2-[3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1H-benzimidazol-2-yl)-2-[5,5-dimethyl-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1,3-benzoxazol-2-yl)-2-[5,5-dimethyl-3-[7-(N-(3-methylphenyl)anilino)-2-oxochromen-3-yl]cyclohex-2-en-1-ylidene]acetonitrile is CC1(C)CC(c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)=C/C(=C(\C#N)c2nc3ccccc3[nH]2)C1.CCN(CC)c1ccc2c(C)c(C3=C/C(=C(\C#N)c4nc5ccccc5[nH]4)CCC3)c(=O)oc2c1.Cc1c(C2=C/C(=C(\C#N)c3nc4ccccc4[nH]3)CCC2)c(=O)oc2cc(N3c4ccccc4C=Cc4ccccc43)ccc12.Cc1cccc(N(c2ccccc2)c2ccc3cc(C4=C/C(=C(\C#N)c5nc6ccccc6o5)CC(C)(C)C4)c(=O)oc3c2)c1.
What is the InChIKey of (2E)-2-(1H-benzimidazol-2-yl)-2-[3-(7-benzo[b][1]benzazepin-11-yl-4-methyl-2-oxochromen-3-yl)cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1H-benzimidazol-2-yl)-2-[3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1H-benzimidazol-2-yl)-2-[5,5-dimethyl-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1,3-benzoxazol-2-yl)-2-[5,5-dimethyl-3-[7-(N-(3-methylphenyl)anilino)-2-oxochromen-3-yl]cyclohex-2-en-1-ylidene]acetonitrile?
The InChIKey is SSODZYUYLVHMOC-URFBJIBTSA-N. The full InChI is InChI=1S/C39H28N4O2.C39H31N3O3.C32H30N4O2.C29H28N4O2/c1-24-30-20-19-29(43-34-15-6-2-9-25(34)17-18-26-10-3-7-16-35(26)43)22-36(30)45-39(44)37(24)28-12-8-11-27(21-28)31(23-40)38-41-32-13-4-5-14-33(32)42-38;1-25-10-9-13-30(18-25)42(29-11-5-4-6-12-29)31-17-16-26-20-32(38(43)45-36(26)21-31)27-19-28(23-39(2,3)22-27)33(24-40)37-41-34-14-7-8-15-35(34)44-37;1-32(2)16-21(14-22(17-32)25(18-33)30-34-26-9-3-4-10-27(26)35-30)24-15-20-13-19-7-5-11-36-12-6-8-23(28(19)36)29(20)38-31(24)37;1-4-33(5-2)21-13-14-22-18(3)27(29(34)35-26(22)16-21)20-10-8-9-19(15-20)23(17-30)28-31-24-11-6-7-12-25(24)32-28/h2-7,9-10,13-22H,8,11-12H2,1H3,(H,41,42);4-21H,22-23H2,1-3H3;3-4,9-10,13-15H,5-8,11-12,16-17H2,1-2H3,(H,34,35);6-7,11-16H,4-5,8-10H2,1-3H3,(H,31,32)/b31-27+;33-28-;25-22-;23-19+.
What are the key properties of (2E)-2-(1H-benzimidazol-2-yl)-2-[3-(7-benzo[b][1]benzazepin-11-yl-4-methyl-2-oxochromen-3-yl)cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1H-benzimidazol-2-yl)-2-[3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1H-benzimidazol-2-yl)-2-[5,5-dimethyl-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1,3-benzoxazol-2-yl)-2-[5,5-dimethyl-3-[7-(N-(3-methylphenyl)anilino)-2-oxochromen-3-yl]cyclohex-2-en-1-ylidene]acetonitrile?
(2E)-2-(1H-benzimidazol-2-yl)-2-[3-(7-benzo[b][1]benzazepin-11-yl-4-methyl-2-oxochromen-3-yl)cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1H-benzimidazol-2-yl)-2-[3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1H-benzimidazol-2-yl)-2-[5,5-dimethyl-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1,3-benzoxazol-2-yl)-2-[5,5-dimethyl-3-[7-(N-(3-methylphenyl)anilino)-2-oxochromen-3-yl]cyclohex-2-en-1-ylidene]acetonitrile has a molecular weight of 2141.56 g/mol, XLogP of 32.29, 15 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1H-benzimidazol-2-yl)-2-[3-(7-benzo[b][1]benzazepin-11-yl-4-methyl-2-oxochromen-3-yl)cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1H-benzimidazol-2-yl)-2-[3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1H-benzimidazol-2-yl)-2-[5,5-dimethyl-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)cyclohex-2-en-1-ylidene]acetonitrile;(2E)-2-(1,3-benzoxazol-2-yl)-2-[5,5-dimethyl-3-[7-(N-(3-methylphenyl)anilino)-2-oxochromen-3-yl]cyclohex-2-en-1-ylidene]acetonitrile is sourced from PubChem (CID 160925308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).