2-amino-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-ethyl-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-hydroxy-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-methoxy-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2,9-diamino-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile

C133H81ClF15N11O17 — CID 160823456

About 2-amino-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-ethyl-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-hydroxy-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-methoxy-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2,9-diamino-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile

2-amino-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-ethyl-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-hydroxy-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-methoxy-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2,9-diamino-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile (PubChem CID 160823456) has the molecular formula C133H81ClF15N11O17 and a molecular weight of 2425.59 g/mol. Its IUPAC name is 2-amino-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-ethyl-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-hydroxy-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-methoxy-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2,9-diamino-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile.

Molecular Properties

• Compound Name: 2-amino-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-ethyl-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-hydroxy-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-methoxy-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2,9-diamino-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile
• PubChem CID: 160823456
• Molecular Formula: C133H81ClF15N11O17
• Molecular Weight: 2425.59 g/mol
• Exact Mass: 2423.53
• IUPAC Name: 2-amino-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-ethyl-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-hydroxy-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-methoxy-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2,9-diamino-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile
• SMILES: CCc1ccc2oc(=O)c3c(c2c1)OC(N)=C(C#N)C3c1ccc(-c2ccccc2C(F)(F)F)cc1.COc1ccc2oc(=O)c3c(c2c1)OC(N)=C(C#N)C3c1ccc(-c2ccccc2C(F)(F)F)cc1.N#CC1=C(N)Oc2c(c(=O)oc3ccc(N)cc23)C1c1ccc(-c2ccccc2C(F)(F)F)cc1.N#CC1=C(N)Oc2c(c(=O)oc3ccc(O)cc23)C1c1ccc(-c2ccccc2C(F)(F)F)cc1.N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)cc1
• InChI: InChI=1S/C28H19F3N2O3.C27H17F3N2O4.C26H14ClF3N2O3.C26H16F3N3O3.C26H15F3N2O4/c1-2-15-7-12-22-19(13-15)25-24(27(34)35-22)23(20(14-32)26(33)36-25)17-10-8-16(9-11-17)18-5-3-4-6-21(18)28(29,30)31;1-34-16-10-11-21-18(12-16)24-23(26(33)35-21)22(19(13-31)25(32)36-24)15-8-6-14(7-9-15)17-4-2-3-5-20(17)27(28,29)30;27-19-10-9-15(11-18(19)26(28,29)30)13-5-7-14(8-6-13)21-17(12-31)24(32)35-23-16-3-1-2-4-20(16)34-25(33)22(21)23;27-26(28,29)19-4-2-1-3-16(19)13-5-7-14(8-6-13)21-18(12-30)24(32)35-23-17-11-15(31)9-10-20(17)34-25(33)22(21)23;27-26(28,29)19-4-2-1-3-16(19)13-5-7-14(8-6-13)21-18(12-30)24(31)35-23-17-11-15(32)9-10-20(17)34-25(33)22(21)23/h3-13,23H,2,33H2,1H3;2-12,22H,32H2,1H3;1-11,21H,32H2;1-11,21H,31-32H2;1-11,21,32H,31H2
• InChIKey: SFVPSFAZCOAQFB-UHFFFAOYSA-N
• XLogP: 29.00
• TPSA: 501.73 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 12
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2425.59
LogP ≤ 5	29.00
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-ethyl-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-hydroxy-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-methoxy-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2,9-diamino-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile?

The IUPAC name of 2-amino-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-ethyl-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-hydroxy-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-methoxy-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2,9-diamino-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile (CID 160823456) is 2-amino-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-ethyl-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-hydroxy-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-methoxy-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2,9-diamino-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile.

What is the SMILES notation for 2-amino-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-ethyl-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-hydroxy-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-methoxy-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2,9-diamino-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile?

The canonical SMILES for 2-amino-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-ethyl-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-hydroxy-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-methoxy-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2,9-diamino-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile is CCc1ccc2oc(=O)c3c(c2c1)OC(N)=C(C#N)C3c1ccc(-c2ccccc2C(F)(F)F)cc1.COc1ccc2oc(=O)c3c(c2c1)OC(N)=C(C#N)C3c1ccc(-c2ccccc2C(F)(F)F)cc1.N#CC1=C(N)Oc2c(c(=O)oc3ccc(N)cc23)C1c1ccc(-c2ccccc2C(F)(F)F)cc1.N#CC1=C(N)Oc2c(c(=O)oc3ccc(O)cc23)C1c1ccc(-c2ccccc2C(F)(F)F)cc1.N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)cc1.

What is the InChIKey of 2-amino-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-ethyl-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-hydroxy-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-methoxy-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2,9-diamino-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile?

The InChIKey is SFVPSFAZCOAQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19F3N2O3.C27H17F3N2O4.C26H14ClF3N2O3.C26H16F3N3O3.C26H15F3N2O4/c1-2-15-7-12-22-19(13-15)25-24(27(34)35-22)23(20(14-32)26(33)36-25)17-10-8-16(9-11-17)18-5-3-4-6-21(18)28(29,30)31;1-34-16-10-11-21-18(12-16)24-23(26(33)35-21)22(19(13-31)25(32)36-24)15-8-6-14(7-9-15)17-4-2-3-5-20(17)27(28,29)30;27-19-10-9-15(11-18(19)26(28,29)30)13-5-7-14(8-6-13)21-17(12-31)24(32)35-23-16-3-1-2-4-20(16)34-25(33)22(21)23;27-26(28,29)19-4-2-1-3-16(19)13-5-7-14(8-6-13)21-18(12-30)24(32)35-23-17-11-15(31)9-10-20(17)34-25(33)22(21)23;27-26(28,29)19-4-2-1-3-16(19)13-5-7-14(8-6-13)21-18(12-30)24(31)35-23-17-11-15(32)9-10-20(17)34-25(33)22(21)23/h3-13,23H,2,33H2,1H3;2-12,22H,32H2,1H3;1-11,21H,32H2;1-11,21H,31-32H2;1-11,21,32H,31H2.

What are the key properties of 2-amino-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-ethyl-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-hydroxy-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-methoxy-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2,9-diamino-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile?

2-amino-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-ethyl-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-hydroxy-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-methoxy-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2,9-diamino-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile has a molecular weight of 2425.59 g/mol, XLogP of 29.00, 12 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-ethyl-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-hydroxy-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-methoxy-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2,9-diamino-5-oxo-4-[4-[2-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile is sourced from PubChem (CID 160823456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).