1-[4-[4-[3-[2,3-dimethyl-4-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]-5-furo[3,2-f]indol-7-ylphenyl]-2,3-dimethylphenyl]phenyl]-2,2,2-trifluoroethanone

C48H33F6NO3 — CID 130354946

IUPAC1-[4-[4-[3-[2,3-dimethyl-4-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]-5-furo[3,2-f]indol-7-ylphenyl]-2,3-dimethylphenyl]phenyl]-2,2,2-trifluoroethanone
SMILESCc1c(-c2ccc(C(=O)C(F)(F)F)cc2)ccc(-c2cc(-c3ccc(-c4ccc(C(=O)C(F)(F)F)cc4)c(C)c3C)cc(-n3ccc4cc5ccoc5cc43)c2)c1C
InChIInChI=1S/C48H33F6NO3/c1-26-28(3)41(15-13-39(26)30-5-9-32(10-6-30)45(56)47(49,50)51)36-22-37(24-38(23-36)55-19-17-34-21-35-18-20-58-44(35)25-43(34)55)42-16-14-40(27(2)29(42)4)31-7-11-33(12-8-31)46(57)48(52,53)54/h5-25H,1-4H3
InChIKeyHYQNFRYYTVSTTH-UHFFFAOYSA-N
MW785.78 g/mol
LogP13.77
Rot. Bonds7

About 1-[4-[4-[3-[2,3-dimethyl-4-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]-5-furo[3,2-f]indol-7-ylphenyl]-2,3-dimethylphenyl]phenyl]-2,2,2-trifluoroethanone

1-[4-[4-[3-[2,3-dimethyl-4-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]-5-furo[3,2-f]indol-7-ylphenyl]-2,3-dimethylphenyl]phenyl]-2,2,2-trifluoroethanone (PubChem CID 130354946) has the molecular formula C48H33F6NO3 and a molecular weight of 785.78 g/mol. Its IUPAC name is 1-[4-[4-[3-[2,3-dimethyl-4-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]-5-furo[3,2-f]indol-7-ylphenyl]-2,3-dimethylphenyl]phenyl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-[4-[3-[2,3-dimethyl-4-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]-5-furo[3,2-f]indol-7-ylphenyl]-2,3-dimethylphenyl]phenyl]-2,2,2-trifluoroethanone
PubChem CID130354946
Molecular FormulaC48H33F6NO3
Molecular Weight785.78 g/mol
Exact Mass785.24
IUPAC Name1-[4-[4-[3-[2,3-dimethyl-4-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]-5-furo[3,2-f]indol-7-ylphenyl]-2,3-dimethylphenyl]phenyl]-2,2,2-trifluoroethanone
SMILESCc1c(-c2ccc(C(=O)C(F)(F)F)cc2)ccc(-c2cc(-c3ccc(-c4ccc(C(=O)C(F)(F)F)cc4)c(C)c3C)cc(-n3ccc4cc5ccoc5cc43)c2)c1C
InChIInChI=1S/C48H33F6NO3/c1-26-28(3)41(15-13-39(26)30-5-9-32(10-6-30)45(56)47(49,50)51)36-22-37(24-38(23-36)55-19-17-34-21-35-18-20-58-44(35)25-43(34)55)42-16-14-40(27(2)29(42)4)31-7-11-33(12-8-31)46(57)48(52,53)54/h5-25H,1-4H3
InChIKeyHYQNFRYYTVSTTH-UHFFFAOYSA-N
XLogP13.77
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.78
LogP ≤ 513.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[4-[3-[2,3-dimethyl-4-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]-5-furo[3,2-f]indol-7-ylphenyl]-2,3-dimethylphenyl]phenyl]-2,2,2-trifluoroethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[3-[2,3-dimethyl-4-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]-5-furo[3,2-f]indol-7-ylphenyl]-2,3-dimethylphenyl]phenyl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-[4-[3-[2,3-dimethyl-4-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]-5-furo[3,2-f]indol-7-ylphenyl]-2,3-dimethylphenyl]phenyl]-2,2,2-trifluoroethanone (CID 130354946) is 1-[4-[4-[3-[2,3-dimethyl-4-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]-5-furo[3,2-f]indol-7-ylphenyl]-2,3-dimethylphenyl]phenyl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-[4-[3-[2,3-dimethyl-4-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]-5-furo[3,2-f]indol-7-ylphenyl]-2,3-dimethylphenyl]phenyl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-[4-[3-[2,3-dimethyl-4-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]-5-furo[3,2-f]indol-7-ylphenyl]-2,3-dimethylphenyl]phenyl]-2,2,2-trifluoroethanone is Cc1c(-c2ccc(C(=O)C(F)(F)F)cc2)ccc(-c2cc(-c3ccc(-c4ccc(C(=O)C(F)(F)F)cc4)c(C)c3C)cc(-n3ccc4cc5ccoc5cc43)c2)c1C.
What is the InChIKey of 1-[4-[4-[3-[2,3-dimethyl-4-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]-5-furo[3,2-f]indol-7-ylphenyl]-2,3-dimethylphenyl]phenyl]-2,2,2-trifluoroethanone?
The InChIKey is HYQNFRYYTVSTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33F6NO3/c1-26-28(3)41(15-13-39(26)30-5-9-32(10-6-30)45(56)47(49,50)51)36-22-37(24-38(23-36)55-19-17-34-21-35-18-20-58-44(35)25-43(34)55)42-16-14-40(27(2)29(42)4)31-7-11-33(12-8-31)46(57)48(52,53)54/h5-25H,1-4H3.
What are the key properties of 1-[4-[4-[3-[2,3-dimethyl-4-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]-5-furo[3,2-f]indol-7-ylphenyl]-2,3-dimethylphenyl]phenyl]-2,2,2-trifluoroethanone?
1-[4-[4-[3-[2,3-dimethyl-4-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]-5-furo[3,2-f]indol-7-ylphenyl]-2,3-dimethylphenyl]phenyl]-2,2,2-trifluoroethanone has a molecular weight of 785.78 g/mol, XLogP of 13.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[3-[2,3-dimethyl-4-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]-5-furo[3,2-f]indol-7-ylphenyl]-2,3-dimethylphenyl]phenyl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 130354946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).