(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

C147H116N12O5 — CID 157367439

About (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

(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 (PubChem CID 157367439) has the molecular formula C147H116N12O5 and a molecular weight of 2130.62 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 157367439
• Molecular Formula: C147H116N12O5
• Molecular Weight: 2130.62 g/mol
• Exact Mass: 2128.92
• IUPAC Name: (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
• SMILES: [C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(C)c3ccc(OC)cc3)cc2)OC(C)(c2ccccc2)C1.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(C)c3ccccc3)cc2)OC(C)(c2ccccc2)C1.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)OC(C)(c2ccccc2)C1.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)OC(C)(c2ccccc2)C1
• InChI: InChI=1S/C47H35N3O.C39H29N3O.C31H27N3O2.C30H25N3O/c1-47(41-16-10-5-11-17-41)33-40(46(34-48)49-2)32-45(51-47)31-20-35-18-25-42(26-19-35)50(43-27-21-38(22-28-43)36-12-6-3-7-13-36)44-29-23-39(24-30-44)37-14-8-4-9-15-37;1-39(32-14-5-3-6-15-32)27-31(37(28-40)41-2)26-35(43-39)25-22-29-20-23-34(24-21-29)42(33-16-7-4-8-17-33)38-19-11-13-30-12-9-10-18-36(30)38;1-31(25-8-6-5-7-9-25)21-24(30(22-32)33-2)20-29(36-31)17-12-23-10-13-26(14-11-23)34(3)27-15-18-28(35-4)19-16-27;1-30(25-10-6-4-7-11-25)21-24(29(22-31)32-2)20-28(34-30)19-16-23-14-17-27(18-15-23)33(3)26-12-8-5-9-13-26/h3-32H,33H2,1H3;3-26H,27H2,1H3;5-20H,21H2,1,3-4H3;4-20H,21H2,1,3H3/b31-20+,46-40+;25-22+,37-31+;17-12+,30-24+;19-16+,29-24+
• InChIKey: BJIWXDLOGMLYNY-VDJCCUBFSA-N
• XLogP: 37.44
• TPSA: 171.71 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 25
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2130.62
LogP ≤ 5	37.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'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-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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is [C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(C)c3ccc(OC)cc3)cc2)OC(C)(c2ccccc2)C1.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(C)c3ccccc3)cc2)OC(C)(c2ccccc2)C1.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)OC(C)(c2ccccc2)C1.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)OC(C)(c2ccccc2)C1.

What is the InChIKey of (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?

The InChIKey is BJIWXDLOGMLYNY-VDJCCUBFSA-N. The full InChI is InChI=1S/C47H35N3O.C39H29N3O.C31H27N3O2.C30H25N3O/c1-47(41-16-10-5-11-17-41)33-40(46(34-48)49-2)32-45(51-47)31-20-35-18-25-42(26-19-35)50(43-27-21-38(22-28-43)36-12-6-3-7-13-36)44-29-23-39(24-30-44)37-14-8-4-9-15-37;1-39(32-14-5-3-6-15-32)27-31(37(28-40)41-2)26-35(43-39)25-22-29-20-23-34(24-21-29)42(33-16-7-4-8-17-33)38-19-11-13-30-12-9-10-18-36(30)38;1-31(25-8-6-5-7-9-25)21-24(30(22-32)33-2)20-29(36-31)17-12-23-10-13-26(14-11-23)34(3)27-15-18-28(35-4)19-16-27;1-30(25-10-6-4-7-11-25)21-24(29(22-31)32-2)20-28(34-30)19-16-23-14-17-27(18-15-23)33(3)26-12-8-5-9-13-26/h3-32H,33H2,1H3;3-26H,27H2,1H3;5-20H,21H2,1,3-4H3;4-20H,21H2,1,3H3/b31-20+,46-40+;25-22+,37-31+;17-12+,30-24+;19-16+,29-24+.

What are the key properties of (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?

(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 has a molecular weight of 2130.62 g/mol, XLogP of 37.44, 25 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 157367439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).