1-(2,3,6,7-tetraphenylfuro[2,3-f]indol-5-yl)ethanone

C36H25NO2 — CID 134947530

IUPAC1-(2,3,6,7-tetraphenylfuro[2,3-f]indol-5-yl)ethanone
SMILESCC(=O)n1c(-c2ccccc2)c(-c2ccccc2)c2cc3oc(-c4ccccc4)c(-c4ccccc4)c3cc21
InChIInChI=1S/C36H25NO2/c1-24(38)37-31-22-30-32(39-36(28-20-12-5-13-21-28)34(30)26-16-8-3-9-17-26)23-29(31)33(25-14-6-2-7-15-25)35(37)27-18-10-4-11-19-27/h2-23H,1H3
InChIKeyCEWBPNMMJLVNKF-UHFFFAOYSA-N
MW503.60 g/mol
LogP9.72
Rot. Bonds4

About 1-(2,3,6,7-tetraphenylfuro[2,3-f]indol-5-yl)ethanone

1-(2,3,6,7-tetraphenylfuro[2,3-f]indol-5-yl)ethanone (PubChem CID 134947530) has the molecular formula C36H25NO2 and a molecular weight of 503.60 g/mol. Its IUPAC name is 1-(2,3,6,7-tetraphenylfuro[2,3-f]indol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2,3,6,7-tetraphenylfuro[2,3-f]indol-5-yl)ethanone
PubChem CID134947530
Molecular FormulaC36H25NO2
Molecular Weight503.60 g/mol
Exact Mass503.19
IUPAC Name1-(2,3,6,7-tetraphenylfuro[2,3-f]indol-5-yl)ethanone
SMILESCC(=O)n1c(-c2ccccc2)c(-c2ccccc2)c2cc3oc(-c4ccccc4)c(-c4ccccc4)c3cc21
InChIInChI=1S/C36H25NO2/c1-24(38)37-31-22-30-32(39-36(28-20-12-5-13-21-28)34(30)26-16-8-3-9-17-26)23-29(31)33(25-14-6-2-7-15-25)35(37)27-18-10-4-11-19-27/h2-23H,1H3
InChIKeyCEWBPNMMJLVNKF-UHFFFAOYSA-N
XLogP9.72
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.60
LogP ≤ 59.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,6,7-tetraphenylfuro[2,3-f]indol-5-yl)ethanone?
The IUPAC name of 1-(2,3,6,7-tetraphenylfuro[2,3-f]indol-5-yl)ethanone (CID 134947530) is 1-(2,3,6,7-tetraphenylfuro[2,3-f]indol-5-yl)ethanone.
What is the SMILES notation for 1-(2,3,6,7-tetraphenylfuro[2,3-f]indol-5-yl)ethanone?
The canonical SMILES for 1-(2,3,6,7-tetraphenylfuro[2,3-f]indol-5-yl)ethanone is CC(=O)n1c(-c2ccccc2)c(-c2ccccc2)c2cc3oc(-c4ccccc4)c(-c4ccccc4)c3cc21.
What is the InChIKey of 1-(2,3,6,7-tetraphenylfuro[2,3-f]indol-5-yl)ethanone?
The InChIKey is CEWBPNMMJLVNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25NO2/c1-24(38)37-31-22-30-32(39-36(28-20-12-5-13-21-28)34(30)26-16-8-3-9-17-26)23-29(31)33(25-14-6-2-7-15-25)35(37)27-18-10-4-11-19-27/h2-23H,1H3.
What are the key properties of 1-(2,3,6,7-tetraphenylfuro[2,3-f]indol-5-yl)ethanone?
1-(2,3,6,7-tetraphenylfuro[2,3-f]indol-5-yl)ethanone has a molecular weight of 503.60 g/mol, XLogP of 9.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,6,7-tetraphenylfuro[2,3-f]indol-5-yl)ethanone is sourced from PubChem (CID 134947530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).