4-[1,8-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;ethane

C50H30F12N2O2 — CID 142280857

About 4-[1,8-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;ethane

4-[1,8-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;ethane (PubChem CID 142280857) has the molecular formula C50H30F12N2O2 and a molecular weight of 918.78 g/mol. Its IUPAC name is 4-[1,8-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;ethane.

Molecular Properties

• Compound Name: 4-[1,8-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;ethane
• PubChem CID: 142280857
• Molecular Formula: C50H30F12N2O2
• Molecular Weight: 918.78 g/mol
• Exact Mass: 918.21
• IUPAC Name: 4-[1,8-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;ethane
• SMILES: CC.O=C1c2cccc(-n3c4c(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cccc4c4cccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)c43)c2C(=O)N1c1cccc(-c2ccccc2)c1
• InChI: InChI=1S/C48H24F12N2O2.C2H6/c49-45(50,51)29-18-27(19-30(23-29)46(52,53)54)34-12-5-14-36-37-15-6-13-35(28-20-31(47(55,56)57)24-32(21-28)48(58,59)60)42(37)62(41(34)36)39-17-7-16-38-40(39)44(64)61(43(38)63)33-11-4-10-26(22-33)25-8-2-1-3-9-25;1-2/h1-24H;1-2H3
• InChIKey: KVWZMRMYFPNGGC-UHFFFAOYSA-N
• XLogP: 15.69
• TPSA: 42.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	918.78
LogP ≤ 5	15.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[1,8-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;ethane?

The IUPAC name of 4-[1,8-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;ethane (CID 142280857) is 4-[1,8-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;ethane.

What is the SMILES notation for 4-[1,8-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;ethane?

The canonical SMILES for 4-[1,8-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;ethane is CC.O=C1c2cccc(-n3c4c(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cccc4c4cccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)c43)c2C(=O)N1c1cccc(-c2ccccc2)c1.

What is the InChIKey of 4-[1,8-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;ethane?

The InChIKey is KVWZMRMYFPNGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H24F12N2O2.C2H6/c49-45(50,51)29-18-27(19-30(23-29)46(52,53)54)34-12-5-14-36-37-15-6-13-35(28-20-31(47(55,56)57)24-32(21-28)48(58,59)60)42(37)62(41(34)36)39-17-7-16-38-40(39)44(64)61(43(38)63)33-11-4-10-26(22-33)25-8-2-1-3-9-25;1-2/h1-24H;1-2H3.

What are the key properties of 4-[1,8-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;ethane?

4-[1,8-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;ethane has a molecular weight of 918.78 g/mol, XLogP of 15.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1,8-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;ethane is sourced from PubChem (CID 142280857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).