(2Z)-2-[6-[(E)-2-[4-[4-(dimethylamino)-N-methylanilino]phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2,2-diphenyl-6-[(E)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]ethenyl]-3H-pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[6-[(E)-2-[4-(N-methylanilino)phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]acetonitrile;(2E)-2-isocyano-2-[6-[(E)-2-[4-[4-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]acetonitrile

C169H133N13O4 — CID 159720471

About (2Z)-2-[6-[(E)-2-[4-[4-(dimethylamino)-N-methylanilino]phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2,2-diphenyl-6-[(E)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]ethenyl]-3H-pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[6-[(E)-2-[4-(N-methylanilino)phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]acetonitrile;(2E)-2-isocyano-2-[6-[(E)-2-[4-[4-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]acetonitrile

(2Z)-2-[6-[(E)-2-[4-[4-(dimethylamino)-N-methylanilino]phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2,2-diphenyl-6-[(E)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]ethenyl]-3H-pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[6-[(E)-2-[4-(N-methylanilino)phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]acetonitrile;(2E)-2-isocyano-2-[6-[(E)-2-[4-[4-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]acetonitrile (PubChem CID 159720471) has the molecular formula C169H133N13O4 and a molecular weight of 2410.01 g/mol. Its IUPAC name is (2Z)-2-[6-[(E)-2-[4-[4-(dimethylamino)-N-methylanilino]phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2,2-diphenyl-6-[(E)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]ethenyl]-3H-pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[6-[(E)-2-[4-(N-methylanilino)phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]acetonitrile;(2E)-2-isocyano-2-[6-[(E)-2-[4-[4-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]acetonitrile.

Molecular Properties

• Compound Name: (2Z)-2-[6-[(E)-2-[4-[4-(dimethylamino)-N-methylanilino]phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2,2-diphenyl-6-[(E)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]ethenyl]-3H-pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[6-[(E)-2-[4-(N-methylanilino)phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]acetonitrile;(2E)-2-isocyano-2-[6-[(E)-2-[4-[4-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]acetonitrile
• PubChem CID: 159720471
• Molecular Formula: C169H133N13O4
• Molecular Weight: 2410.01 g/mol
• Exact Mass: 2408.06
• IUPAC Name: (2Z)-2-[6-[(E)-2-[4-[4-(dimethylamino)-N-methylanilino]phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2,2-diphenyl-6-[(E)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]ethenyl]-3H-pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[6-[(E)-2-[4-(N-methylanilino)phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]acetonitrile;(2E)-2-isocyano-2-[6-[(E)-2-[4-[4-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]acetonitrile
• SMILES: [C-]#[N+]/C(C#N)=C1/C=C(/C=C/c2ccc(N(C)c3ccccc3)cc2)OC(c2ccccc2)(c2ccccc2)C1.[C-]#[N+]/C(C#N)=C1/C=C(/C=C/c2ccc(N(c3ccc(C)cc3)c3cccc4c3CCCC4)cc2)OC(c2ccccc2)(c2ccccc2)C1.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(C)c3ccc(N(C)C)cc3)cc2)OC(c2ccccc2)(c2ccccc2)C1.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)OC(c2ccccc2)(c2ccccc2)C1
• InChI: InChI=1S/C52H37N3O.C45H37N3O.C37H32N4O.C35H27N3O/c1-54-51(38-53)44-36-50(56-52(37-44,45-18-10-4-11-19-45)46-20-12-5-13-21-46)35-24-39-22-29-47(30-23-39)55(48-31-25-42(26-32-48)40-14-6-2-7-15-40)49-33-27-43(28-34-49)41-16-8-3-9-17-41;1-33-20-25-39(26-21-33)48(44-19-11-13-35-12-9-10-18-42(35)44)40-27-22-34(23-28-40)24-29-41-30-36(43(32-46)47-2)31-45(49-41,37-14-5-3-6-15-37)38-16-7-4-8-17-38;1-39-36(27-38)29-25-35(42-37(26-29,30-11-7-5-8-12-30)31-13-9-6-10-14-31)24-17-28-15-18-33(19-16-28)41(4)34-22-20-32(21-23-34)40(2)3;1-37-34(26-36)28-24-33(23-20-27-18-21-32(22-19-27)38(2)31-16-10-5-11-17-31)39-35(25-28,29-12-6-3-7-13-29)30-14-8-4-9-15-30/h2-36H,37H2;3-8,11,13-17,19-30H,9-10,12,18,31H2,1H3;5-25H,26H2,2-4H3;3-24H,25H2,2H3/b35-24+,51-44+;29-24+,43-36-;24-17+,36-29+;23-20+,34-28-
• InChIKey: MZYVCLRJXKBADE-NEIFAHJYSA-N
• XLogP: 41.64
• TPSA: 165.72 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 29
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2410.01
LogP ≤ 5	41.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[6-[(E)-2-[4-[4-(dimethylamino)-N-methylanilino]phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2,2-diphenyl-6-[(E)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]ethenyl]-3H-pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[6-[(E)-2-[4-(N-methylanilino)phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]acetonitrile;(2E)-2-isocyano-2-[6-[(E)-2-[4-[4-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]acetonitrile?

The IUPAC name of (2Z)-2-[6-[(E)-2-[4-[4-(dimethylamino)-N-methylanilino]phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2,2-diphenyl-6-[(E)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]ethenyl]-3H-pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[6-[(E)-2-[4-(N-methylanilino)phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]acetonitrile;(2E)-2-isocyano-2-[6-[(E)-2-[4-[4-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]acetonitrile (CID 159720471) is (2Z)-2-[6-[(E)-2-[4-[4-(dimethylamino)-N-methylanilino]phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2,2-diphenyl-6-[(E)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]ethenyl]-3H-pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[6-[(E)-2-[4-(N-methylanilino)phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]acetonitrile;(2E)-2-isocyano-2-[6-[(E)-2-[4-[4-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]acetonitrile.

What is the SMILES notation for (2Z)-2-[6-[(E)-2-[4-[4-(dimethylamino)-N-methylanilino]phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2,2-diphenyl-6-[(E)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]ethenyl]-3H-pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[6-[(E)-2-[4-(N-methylanilino)phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]acetonitrile;(2E)-2-isocyano-2-[6-[(E)-2-[4-[4-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]acetonitrile?

The canonical SMILES for (2Z)-2-[6-[(E)-2-[4-[4-(dimethylamino)-N-methylanilino]phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2,2-diphenyl-6-[(E)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]ethenyl]-3H-pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[6-[(E)-2-[4-(N-methylanilino)phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]acetonitrile;(2E)-2-isocyano-2-[6-[(E)-2-[4-[4-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]acetonitrile is [C-]#[N+]/C(C#N)=C1/C=C(/C=C/c2ccc(N(C)c3ccccc3)cc2)OC(c2ccccc2)(c2ccccc2)C1.[C-]#[N+]/C(C#N)=C1/C=C(/C=C/c2ccc(N(c3ccc(C)cc3)c3cccc4c3CCCC4)cc2)OC(c2ccccc2)(c2ccccc2)C1.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(C)c3ccc(N(C)C)cc3)cc2)OC(c2ccccc2)(c2ccccc2)C1.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)OC(c2ccccc2)(c2ccccc2)C1.

What is the InChIKey of (2Z)-2-[6-[(E)-2-[4-[4-(dimethylamino)-N-methylanilino]phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2,2-diphenyl-6-[(E)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]ethenyl]-3H-pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[6-[(E)-2-[4-(N-methylanilino)phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]acetonitrile;(2E)-2-isocyano-2-[6-[(E)-2-[4-[4-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]acetonitrile?

The InChIKey is MZYVCLRJXKBADE-NEIFAHJYSA-N. The full InChI is InChI=1S/C52H37N3O.C45H37N3O.C37H32N4O.C35H27N3O/c1-54-51(38-53)44-36-50(56-52(37-44,45-18-10-4-11-19-45)46-20-12-5-13-21-46)35-24-39-22-29-47(30-23-39)55(48-31-25-42(26-32-48)40-14-6-2-7-15-40)49-33-27-43(28-34-49)41-16-8-3-9-17-41;1-33-20-25-39(26-21-33)48(44-19-11-13-35-12-9-10-18-42(35)44)40-27-22-34(23-28-40)24-29-41-30-36(43(32-46)47-2)31-45(49-41,37-14-5-3-6-15-37)38-16-7-4-8-17-38;1-39-36(27-38)29-25-35(42-37(26-29,30-11-7-5-8-12-30)31-13-9-6-10-14-31)24-17-28-15-18-33(19-16-28)41(4)34-22-20-32(21-23-34)40(2)3;1-37-34(26-36)28-24-33(23-20-27-18-21-32(22-19-27)38(2)31-16-10-5-11-17-31)39-35(25-28,29-12-6-3-7-13-29)30-14-8-4-9-15-30/h2-36H,37H2;3-8,11,13-17,19-30H,9-10,12,18,31H2,1H3;5-25H,26H2,2-4H3;3-24H,25H2,2H3/b35-24+,51-44+;29-24+,43-36-;24-17+,36-29+;23-20+,34-28-.

What are the key properties of (2Z)-2-[6-[(E)-2-[4-[4-(dimethylamino)-N-methylanilino]phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2,2-diphenyl-6-[(E)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]ethenyl]-3H-pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[6-[(E)-2-[4-(N-methylanilino)phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]acetonitrile;(2E)-2-isocyano-2-[6-[(E)-2-[4-[4-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]acetonitrile?

(2Z)-2-[6-[(E)-2-[4-[4-(dimethylamino)-N-methylanilino]phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2,2-diphenyl-6-[(E)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]ethenyl]-3H-pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[6-[(E)-2-[4-(N-methylanilino)phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]acetonitrile;(2E)-2-isocyano-2-[6-[(E)-2-[4-[4-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]acetonitrile has a molecular weight of 2410.01 g/mol, XLogP of 41.64, 29 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-[6-[(E)-2-[4-[4-(dimethylamino)-N-methylanilino]phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2,2-diphenyl-6-[(E)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]ethenyl]-3H-pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[6-[(E)-2-[4-(N-methylanilino)phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]acetonitrile;(2E)-2-isocyano-2-[6-[(E)-2-[4-[4-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]-2,2-diphenyl-3H-pyran-4-ylidene]acetonitrile is sourced from PubChem (CID 159720471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).