(2Z)-2-(1-cyanoethylidene)-4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5-methyl-5-phenylfuran-3-carbonitrile;(2Z)-4-[(E,3E)-3-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-5-(3,4-difluorophenyl)-2-(1-isocyanoethylidene)-5-methylfuran-3-carbonitrile;(2Z)-4-[(E,3E)-3-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-2-(1-isocyanoethylidene)-5,5-dimethylfuran-3-carbonitrile

C98H105F2N9O3 — CID 160533533

About (2Z)-2-(1-cyanoethylidene)-4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5-methyl-5-phenylfuran-3-carbonitrile;(2Z)-4-[(E,3E)-3-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-5-(3,4-difluorophenyl)-2-(1-isocyanoethylidene)-5-methylfuran-3-carbonitrile;(2Z)-4-[(E,3E)-3-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-2-(1-isocyanoethylidene)-5,5-dimethylfuran-3-carbonitrile

(2Z)-2-(1-cyanoethylidene)-4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5-methyl-5-phenylfuran-3-carbonitrile;(2Z)-4-[(E,3E)-3-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-5-(3,4-difluorophenyl)-2-(1-isocyanoethylidene)-5-methylfuran-3-carbonitrile;(2Z)-4-[(E,3E)-3-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-2-(1-isocyanoethylidene)-5,5-dimethylfuran-3-carbonitrile (PubChem CID 160533533) has the molecular formula C98H105F2N9O3 and a molecular weight of 1494.97 g/mol. Its IUPAC name is (2Z)-2-(1-cyanoethylidene)-4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5-methyl-5-phenylfuran-3-carbonitrile;(2Z)-4-[(E,3E)-3-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-5-(3,4-difluorophenyl)-2-(1-isocyanoethylidene)-5-methylfuran-3-carbonitrile;(2Z)-4-[(E,3E)-3-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-2-(1-isocyanoethylidene)-5,5-dimethylfuran-3-carbonitrile.

Molecular Properties

• Compound Name: (2Z)-2-(1-cyanoethylidene)-4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5-methyl-5-phenylfuran-3-carbonitrile;(2Z)-4-[(E,3E)-3-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-5-(3,4-difluorophenyl)-2-(1-isocyanoethylidene)-5-methylfuran-3-carbonitrile;(2Z)-4-[(E,3E)-3-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-2-(1-isocyanoethylidene)-5,5-dimethylfuran-3-carbonitrile
• PubChem CID: 160533533
• Molecular Formula: C98H105F2N9O3
• Molecular Weight: 1494.97 g/mol
• Exact Mass: 1493.83
• IUPAC Name: (2Z)-2-(1-cyanoethylidene)-4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5-methyl-5-phenylfuran-3-carbonitrile;(2Z)-4-[(E,3E)-3-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-5-(3,4-difluorophenyl)-2-(1-isocyanoethylidene)-5-methylfuran-3-carbonitrile;(2Z)-4-[(E,3E)-3-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-2-(1-isocyanoethylidene)-5,5-dimethylfuran-3-carbonitrile
• SMILES: CCN(CC)c1ccc(/C=C/C2=C(C#N)/C(=C(\C)C#N)OC2(C)c2ccccc2)cc1.[C-]#[N+]/C(C)=C1\OC(C)(C)C(/C=C/C=C2/C=C(/C=C/c3ccc(N(CC)CC)cc3)CC(C)(C)C2)=C1C#N.[C-]#[N+]/C(C)=C1\OC(C)(c2ccc(F)c(F)c2)C(/C=C/C=C2/C=C(/C=C/c3ccc(N(CC)CC)cc3)CC(C)(C)C2)=C1C#N
• InChI: InChI=1S/C38H39F2N3O.C33H39N3O.C27H27N3O/c1-8-43(9-2)31-18-15-27(16-19-31)13-14-29-21-28(23-37(4,5)24-29)11-10-12-33-32(25-41)36(26(3)42-7)44-38(33,6)30-17-20-34(39)35(40)22-30;1-9-36(10-2)28-18-16-25(17-19-28)14-15-27-20-26(21-32(4,5)22-27)12-11-13-30-29(23-34)31(24(3)35-8)37-33(30,6)7;1-5-30(6-2)23-15-12-21(13-16-23)14-17-25-24(19-29)26(20(3)18-28)31-27(25,4)22-10-8-7-9-11-22/h10-22H,8-9,23-24H2,1-6H3;11-20H,9-10,21-22H2,1-7H3;7-17H,5-6H2,1-4H3/b12-10+,14-13+,28-11-,36-26-;13-11+,15-14+,26-12-,31-24-;17-14+,26-20-
• InChIKey: QVWAYRAHPXSYAT-OYEQZGBESA-N
• XLogP: 24.63
• TPSA: 141.29 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 21
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1494.97
LogP ≤ 5	24.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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'}

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-cyanoethylidene)-4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5-methyl-5-phenylfuran-3-carbonitrile;(2Z)-4-[(E,3E)-3-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-5-(3,4-difluorophenyl)-2-(1-isocyanoethylidene)-5-methylfuran-3-carbonitrile;(2Z)-4-[(E,3E)-3-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-2-(1-isocyanoethylidene)-5,5-dimethylfuran-3-carbonitrile?

The IUPAC name of (2Z)-2-(1-cyanoethylidene)-4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5-methyl-5-phenylfuran-3-carbonitrile;(2Z)-4-[(E,3E)-3-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-5-(3,4-difluorophenyl)-2-(1-isocyanoethylidene)-5-methylfuran-3-carbonitrile;(2Z)-4-[(E,3E)-3-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-2-(1-isocyanoethylidene)-5,5-dimethylfuran-3-carbonitrile (CID 160533533) is (2Z)-2-(1-cyanoethylidene)-4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5-methyl-5-phenylfuran-3-carbonitrile;(2Z)-4-[(E,3E)-3-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-5-(3,4-difluorophenyl)-2-(1-isocyanoethylidene)-5-methylfuran-3-carbonitrile;(2Z)-4-[(E,3E)-3-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-2-(1-isocyanoethylidene)-5,5-dimethylfuran-3-carbonitrile.

What is the SMILES notation for (2Z)-2-(1-cyanoethylidene)-4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5-methyl-5-phenylfuran-3-carbonitrile;(2Z)-4-[(E,3E)-3-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-5-(3,4-difluorophenyl)-2-(1-isocyanoethylidene)-5-methylfuran-3-carbonitrile;(2Z)-4-[(E,3E)-3-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-2-(1-isocyanoethylidene)-5,5-dimethylfuran-3-carbonitrile?

The canonical SMILES for (2Z)-2-(1-cyanoethylidene)-4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5-methyl-5-phenylfuran-3-carbonitrile;(2Z)-4-[(E,3E)-3-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-5-(3,4-difluorophenyl)-2-(1-isocyanoethylidene)-5-methylfuran-3-carbonitrile;(2Z)-4-[(E,3E)-3-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-2-(1-isocyanoethylidene)-5,5-dimethylfuran-3-carbonitrile is CCN(CC)c1ccc(/C=C/C2=C(C#N)/C(=C(\C)C#N)OC2(C)c2ccccc2)cc1.[C-]#[N+]/C(C)=C1\OC(C)(C)C(/C=C/C=C2/C=C(/C=C/c3ccc(N(CC)CC)cc3)CC(C)(C)C2)=C1C#N.[C-]#[N+]/C(C)=C1\OC(C)(c2ccc(F)c(F)c2)C(/C=C/C=C2/C=C(/C=C/c3ccc(N(CC)CC)cc3)CC(C)(C)C2)=C1C#N.

What is the InChIKey of (2Z)-2-(1-cyanoethylidene)-4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5-methyl-5-phenylfuran-3-carbonitrile;(2Z)-4-[(E,3E)-3-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-5-(3,4-difluorophenyl)-2-(1-isocyanoethylidene)-5-methylfuran-3-carbonitrile;(2Z)-4-[(E,3E)-3-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-2-(1-isocyanoethylidene)-5,5-dimethylfuran-3-carbonitrile?

The InChIKey is QVWAYRAHPXSYAT-OYEQZGBESA-N. The full InChI is InChI=1S/C38H39F2N3O.C33H39N3O.C27H27N3O/c1-8-43(9-2)31-18-15-27(16-19-31)13-14-29-21-28(23-37(4,5)24-29)11-10-12-33-32(25-41)36(26(3)42-7)44-38(33,6)30-17-20-34(39)35(40)22-30;1-9-36(10-2)28-18-16-25(17-19-28)14-15-27-20-26(21-32(4,5)22-27)12-11-13-30-29(23-34)31(24(3)35-8)37-33(30,6)7;1-5-30(6-2)23-15-12-21(13-16-23)14-17-25-24(19-29)26(20(3)18-28)31-27(25,4)22-10-8-7-9-11-22/h10-22H,8-9,23-24H2,1-6H3;11-20H,9-10,21-22H2,1-7H3;7-17H,5-6H2,1-4H3/b12-10+,14-13+,28-11-,36-26-;13-11+,15-14+,26-12-,31-24-;17-14+,26-20-.

What are the key properties of (2Z)-2-(1-cyanoethylidene)-4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5-methyl-5-phenylfuran-3-carbonitrile;(2Z)-4-[(E,3E)-3-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-5-(3,4-difluorophenyl)-2-(1-isocyanoethylidene)-5-methylfuran-3-carbonitrile;(2Z)-4-[(E,3E)-3-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-2-(1-isocyanoethylidene)-5,5-dimethylfuran-3-carbonitrile?

(2Z)-2-(1-cyanoethylidene)-4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5-methyl-5-phenylfuran-3-carbonitrile;(2Z)-4-[(E,3E)-3-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-5-(3,4-difluorophenyl)-2-(1-isocyanoethylidene)-5-methylfuran-3-carbonitrile;(2Z)-4-[(E,3E)-3-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-2-(1-isocyanoethylidene)-5,5-dimethylfuran-3-carbonitrile has a molecular weight of 1494.97 g/mol, XLogP of 24.63, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-(1-cyanoethylidene)-4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5-methyl-5-phenylfuran-3-carbonitrile;(2Z)-4-[(E,3E)-3-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-5-(3,4-difluorophenyl)-2-(1-isocyanoethylidene)-5-methylfuran-3-carbonitrile;(2Z)-4-[(E,3E)-3-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-2-(1-isocyanoethylidene)-5,5-dimethylfuran-3-carbonitrile is sourced from PubChem (CID 160533533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).