4-(1-benzofuran-2-yl)-N,N-diphenylaniline

C26H19NO — CID 91572290

IUPAC4-(1-benzofuran-2-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cc4ccccc4o3)cc2)cc1
InChIInChI=1S/C26H19NO/c1-3-10-22(11-4-1)27(23-12-5-2-6-13-23)24-17-15-20(16-18-24)26-19-21-9-7-8-14-25(21)28-26/h1-19H
InChIKeyZOPMGKPNNZMOHJ-UHFFFAOYSA-N
MW361.44 g/mol
LogP7.57
Rot. Bonds4

About 4-(1-benzofuran-2-yl)-N,N-diphenylaniline

4-(1-benzofuran-2-yl)-N,N-diphenylaniline (PubChem CID 91572290) has the molecular formula C26H19NO and a molecular weight of 361.44 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-N,N-diphenylaniline
PubChem CID91572290
Molecular FormulaC26H19NO
Molecular Weight361.44 g/mol
Exact Mass361.15
IUPAC Name4-(1-benzofuran-2-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cc4ccccc4o3)cc2)cc1
InChIInChI=1S/C26H19NO/c1-3-10-22(11-4-1)27(23-12-5-2-6-13-23)24-17-15-20(16-18-24)26-19-21-9-7-8-14-25(21)28-26/h1-19H
InChIKeyZOPMGKPNNZMOHJ-UHFFFAOYSA-N
XLogP7.57
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(1-benzofuran-2-yl)-N,N-diphenylaniline (CID 91572290) is 4-(1-benzofuran-2-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(1-benzofuran-2-yl)-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc(-c3cc4ccccc4o3)cc2)cc1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-N,N-diphenylaniline?
The InChIKey is ZOPMGKPNNZMOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO/c1-3-10-22(11-4-1)27(23-12-5-2-6-13-23)24-17-15-20(16-18-24)26-19-21-9-7-8-14-25(21)28-26/h1-19H.
What are the key properties of 4-(1-benzofuran-2-yl)-N,N-diphenylaniline?
4-(1-benzofuran-2-yl)-N,N-diphenylaniline has a molecular weight of 361.44 g/mol, XLogP of 7.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-N,N-diphenylaniline is sourced from PubChem (CID 91572290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).