4-(furan-2-ylmethyl)-N,N-diphenylaniline

C23H19NO — CID 135174405

IUPAC4-(furan-2-ylmethyl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(Cc3ccco3)cc2)cc1
InChIInChI=1S/C23H19NO/c1-3-8-20(9-4-1)24(21-10-5-2-6-11-21)22-15-13-19(14-16-22)18-23-12-7-17-25-23/h1-17H,18H2
InChIKeyBOEVIAWPDAAVBL-UHFFFAOYSA-N
MW325.41 g/mol
LogP6.34
Rot. Bonds5

About 4-(furan-2-ylmethyl)-N,N-diphenylaniline

4-(furan-2-ylmethyl)-N,N-diphenylaniline (PubChem CID 135174405) has the molecular formula C23H19NO and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-(furan-2-ylmethyl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(furan-2-ylmethyl)-N,N-diphenylaniline
PubChem CID135174405
Molecular FormulaC23H19NO
Molecular Weight325.41 g/mol
Exact Mass325.15
IUPAC Name4-(furan-2-ylmethyl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(Cc3ccco3)cc2)cc1
InChIInChI=1S/C23H19NO/c1-3-8-20(9-4-1)24(21-10-5-2-6-11-21)22-15-13-19(14-16-22)18-23-12-7-17-25-23/h1-17H,18H2
InChIKeyBOEVIAWPDAAVBL-UHFFFAOYSA-N
XLogP6.34
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.41
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(furan-2-ylmethyl)phenol
CID 11367276
4-N,4-N-diphenyl-1-N-[4-[[4-[4-[[4-(N-phenylanilino)phenyl]methyl]anilino]phenyl]methyl]phenyl]benzene-1,4-diamine
CID 162039964
4-benzyl-N-[4-[2-[4-[2-[4-(N-(4-benzylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 59922719
N-[4-[4-[4-[4-(N-[4-[4-(furan-2-yl)butoxy]phenyl]anilino)phenyl]-N-[4-(furan-2-ylmethoxy)phenyl]anilino]phenyl]phenyl]-4-[5-(furan-2-yl)pentyl]-N-phenylaniline
CID 135174407
N,N-diphenyl-4-[2-[3-[2-[4-(N-phenylanilino)phenyl]ethyl]phenyl]ethyl]aniline
CID 14646517
4-[[4-(N-phenylanilino)phenyl]methyl]benzoic acid
CID 175081010
2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan
CID 139920543
1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine
CID 157362668
N,N-diphenyl-4-[4-[4-[(N-phenylanilino)methyl]phenyl]phenyl]aniline
CID 155085132
N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine
CID 10825735
furan-2-ylmethoxysilane
CID 130768813
1-benzyl-4-phenylbenzene;1-bromo-4-phenylbenzene;N,4-diphenyl-N-(4-phenylphenyl)aniline
CID 159014382

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethyl)-N,N-diphenylaniline?
The IUPAC name of 4-(furan-2-ylmethyl)-N,N-diphenylaniline (CID 135174405) is 4-(furan-2-ylmethyl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(furan-2-ylmethyl)-N,N-diphenylaniline?
The canonical SMILES for 4-(furan-2-ylmethyl)-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc(Cc3ccco3)cc2)cc1.
What is the InChIKey of 4-(furan-2-ylmethyl)-N,N-diphenylaniline?
The InChIKey is BOEVIAWPDAAVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO/c1-3-8-20(9-4-1)24(21-10-5-2-6-11-21)22-15-13-19(14-16-22)18-23-12-7-17-25-23/h1-17H,18H2.
What are the key properties of 4-(furan-2-ylmethyl)-N,N-diphenylaniline?
4-(furan-2-ylmethyl)-N,N-diphenylaniline has a molecular weight of 325.41 g/mol, XLogP of 6.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethyl)-N,N-diphenylaniline is sourced from PubChem (CID 135174405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).