4-dibenzofuran-1-yl-N-methyl-N-phenylaniline

C25H19NO — CID 134561321

IUPAC4-dibenzofuran-1-yl-N-methyl-N-phenylaniline
SMILESCN(c1ccccc1)c1ccc(-c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C25H19NO/c1-26(19-8-3-2-4-9-19)20-16-14-18(15-17-20)21-11-7-13-24-25(21)22-10-5-6-12-23(22)27-24/h2-17H,1H3
InChIKeyMNJJQOJAWZIIJI-UHFFFAOYSA-N
MW349.43 g/mol
LogP7.02
Rot. Bonds3

About 4-dibenzofuran-1-yl-N-methyl-N-phenylaniline

4-dibenzofuran-1-yl-N-methyl-N-phenylaniline (PubChem CID 134561321) has the molecular formula C25H19NO and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-dibenzofuran-1-yl-N-methyl-N-phenylaniline.

Molecular Properties

Compound Name4-dibenzofuran-1-yl-N-methyl-N-phenylaniline
PubChem CID134561321
Molecular FormulaC25H19NO
Molecular Weight349.43 g/mol
Exact Mass349.15
IUPAC Name4-dibenzofuran-1-yl-N-methyl-N-phenylaniline
SMILESCN(c1ccccc1)c1ccc(-c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C25H19NO/c1-26(19-8-3-2-4-9-19)20-16-14-18(15-17-20)21-11-7-13-24-25(21)22-10-5-6-12-23(22)27-24/h2-17H,1H3
InChIKeyMNJJQOJAWZIIJI-UHFFFAOYSA-N
XLogP7.02
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-1-ylphenyl)-N-methyl-4-phenylaniline
CID 167230878
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312036
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186868
4-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)-N,N-diphenylaniline
CID 167121384
N-methyl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 145358233
N-(4-dibenzofuran-1-ylphenyl)-4-(3,4-diphenylphenyl)-N-phenylaniline
CID 164831550
N-(4-dibenzofuran-1-ylphenyl)-4-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
CID 167330776
4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]aniline
CID 164835596
2,3,5,6-tetradeuterio-N-(4-dibenzofuran-1-ylphenyl)-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline
CID 171452829
2,3,5,6-tetradeuterio-N-(4-dibenzofuran-1-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 171451237
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186962
N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-2-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline
CID 167086977

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-1-yl-N-methyl-N-phenylaniline?
The IUPAC name of 4-dibenzofuran-1-yl-N-methyl-N-phenylaniline (CID 134561321) is 4-dibenzofuran-1-yl-N-methyl-N-phenylaniline.
What is the SMILES notation for 4-dibenzofuran-1-yl-N-methyl-N-phenylaniline?
The canonical SMILES for 4-dibenzofuran-1-yl-N-methyl-N-phenylaniline is CN(c1ccccc1)c1ccc(-c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of 4-dibenzofuran-1-yl-N-methyl-N-phenylaniline?
The InChIKey is MNJJQOJAWZIIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO/c1-26(19-8-3-2-4-9-19)20-16-14-18(15-17-20)21-11-7-13-24-25(21)22-10-5-6-12-23(22)27-24/h2-17H,1H3.
What are the key properties of 4-dibenzofuran-1-yl-N-methyl-N-phenylaniline?
4-dibenzofuran-1-yl-N-methyl-N-phenylaniline has a molecular weight of 349.43 g/mol, XLogP of 7.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-1-yl-N-methyl-N-phenylaniline is sourced from PubChem (CID 134561321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).