1-(1,2-diphenylfuro[3,2-b]carbazol-9-yl)ethanone

C28H19NO2 — CID 134947553

IUPAC1-(1,2-diphenylfuro[3,2-b]carbazol-9-yl)ethanone
SMILESCC(=O)n1c2ccccc2c2cc3oc(-c4ccccc4)c(-c4ccccc4)c3cc21
InChIInChI=1S/C28H19NO2/c1-18(30)29-24-15-9-8-14-21(24)22-17-26-23(16-25(22)29)27(19-10-4-2-5-11-19)28(31-26)20-12-6-3-7-13-20/h2-17H,1H3
InChIKeySQOHBUOCCWIOTM-UHFFFAOYSA-N
MW401.47 g/mol
LogP7.53
Rot. Bonds2

About 1-(1,2-diphenylfuro[3,2-b]carbazol-9-yl)ethanone

1-(1,2-diphenylfuro[3,2-b]carbazol-9-yl)ethanone (PubChem CID 134947553) has the molecular formula C28H19NO2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-(1,2-diphenylfuro[3,2-b]carbazol-9-yl)ethanone.

Molecular Properties

Compound Name1-(1,2-diphenylfuro[3,2-b]carbazol-9-yl)ethanone
PubChem CID134947553
Molecular FormulaC28H19NO2
Molecular Weight401.47 g/mol
Exact Mass401.14
IUPAC Name1-(1,2-diphenylfuro[3,2-b]carbazol-9-yl)ethanone
SMILESCC(=O)n1c2ccccc2c2cc3oc(-c4ccccc4)c(-c4ccccc4)c3cc21
InChIInChI=1S/C28H19NO2/c1-18(30)29-24-15-9-8-14-21(24)22-17-26-23(16-25(22)29)27(19-10-4-2-5-11-19)28(31-26)20-12-6-3-7-13-20/h2-17H,1H3
InChIKeySQOHBUOCCWIOTM-UHFFFAOYSA-N
XLogP7.53
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-diphenylfuro[3,2-b]carbazol-9-yl)ethanone?
The IUPAC name of 1-(1,2-diphenylfuro[3,2-b]carbazol-9-yl)ethanone (CID 134947553) is 1-(1,2-diphenylfuro[3,2-b]carbazol-9-yl)ethanone.
What is the SMILES notation for 1-(1,2-diphenylfuro[3,2-b]carbazol-9-yl)ethanone?
The canonical SMILES for 1-(1,2-diphenylfuro[3,2-b]carbazol-9-yl)ethanone is CC(=O)n1c2ccccc2c2cc3oc(-c4ccccc4)c(-c4ccccc4)c3cc21.
What is the InChIKey of 1-(1,2-diphenylfuro[3,2-b]carbazol-9-yl)ethanone?
The InChIKey is SQOHBUOCCWIOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19NO2/c1-18(30)29-24-15-9-8-14-21(24)22-17-26-23(16-25(22)29)27(19-10-4-2-5-11-19)28(31-26)20-12-6-3-7-13-20/h2-17H,1H3.
What are the key properties of 1-(1,2-diphenylfuro[3,2-b]carbazol-9-yl)ethanone?
1-(1,2-diphenylfuro[3,2-b]carbazol-9-yl)ethanone has a molecular weight of 401.47 g/mol, XLogP of 7.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-diphenylfuro[3,2-b]carbazol-9-yl)ethanone is sourced from PubChem (CID 134947553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).