4-(N-[1-(2,3-dihydro-1-benzofuran-5-yl)dibenzofuran-3-yl]anilino)phenol

C32H23NO3 — CID 166039090

IUPAC4-(N-[1-(2,3-dihydro-1-benzofuran-5-yl)dibenzofuran-3-yl]anilino)phenol
SMILESOc1ccc(N(c2ccccc2)c2cc(-c3ccc4c(c3)CCO4)c3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C32H23NO3/c34-26-13-11-24(12-14-26)33(23-6-2-1-3-7-23)25-19-28(21-10-15-29-22(18-21)16-17-35-29)32-27-8-4-5-9-30(27)36-31(32)20-25/h1-15,18-20,34H,16-17H2
InChIKeyMTSTUAFAKWJMNR-UHFFFAOYSA-N
MW469.54 g/mol
LogP8.36
Rot. Bonds4

About 4-(N-[1-(2,3-dihydro-1-benzofuran-5-yl)dibenzofuran-3-yl]anilino)phenol

4-(N-[1-(2,3-dihydro-1-benzofuran-5-yl)dibenzofuran-3-yl]anilino)phenol (PubChem CID 166039090) has the molecular formula C32H23NO3 and a molecular weight of 469.54 g/mol. Its IUPAC name is 4-(N-[1-(2,3-dihydro-1-benzofuran-5-yl)dibenzofuran-3-yl]anilino)phenol.

Molecular Properties

Compound Name4-(N-[1-(2,3-dihydro-1-benzofuran-5-yl)dibenzofuran-3-yl]anilino)phenol
PubChem CID166039090
Molecular FormulaC32H23NO3
Molecular Weight469.54 g/mol
Exact Mass469.17
IUPAC Name4-(N-[1-(2,3-dihydro-1-benzofuran-5-yl)dibenzofuran-3-yl]anilino)phenol
SMILESOc1ccc(N(c2ccccc2)c2cc(-c3ccc4c(c3)CCO4)c3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C32H23NO3/c34-26-13-11-24(12-14-26)33(23-6-2-1-3-7-23)25-19-28(21-10-15-29-22(18-21)16-17-35-29)32-27-8-4-5-9-30(27)36-31(32)20-25/h1-15,18-20,34H,16-17H2
InChIKeyMTSTUAFAKWJMNR-UHFFFAOYSA-N
XLogP8.36
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.54
LogP ≤ 58.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170253216
1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170253213
N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)-N,4-diphenylaniline
CID 170030744
1-N,3-N,5-N-tris(4-dibenzofuran-2-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118605062
3-(1-dibenzofuran-1-yldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline
CID 153447932
1-(2,6-diphenylpyrimidin-4-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 166974624
1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 176853518
N-(4-dibenzofuran-1-ylphenyl)-4-(3,4-diphenylphenyl)-N-phenylaniline
CID 164831550
N,3,5-triphenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]aniline
CID 176765163
N-phenyl-N-(4-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 138651086
3-N,3-N-bis(4-dibenzofuran-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605075
1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-3-amine
CID 166974607

Frequently Asked Questions

What is the IUPAC name of 4-(N-[1-(2,3-dihydro-1-benzofuran-5-yl)dibenzofuran-3-yl]anilino)phenol?
The IUPAC name of 4-(N-[1-(2,3-dihydro-1-benzofuran-5-yl)dibenzofuran-3-yl]anilino)phenol (CID 166039090) is 4-(N-[1-(2,3-dihydro-1-benzofuran-5-yl)dibenzofuran-3-yl]anilino)phenol.
What is the SMILES notation for 4-(N-[1-(2,3-dihydro-1-benzofuran-5-yl)dibenzofuran-3-yl]anilino)phenol?
The canonical SMILES for 4-(N-[1-(2,3-dihydro-1-benzofuran-5-yl)dibenzofuran-3-yl]anilino)phenol is Oc1ccc(N(c2ccccc2)c2cc(-c3ccc4c(c3)CCO4)c3c(c2)oc2ccccc23)cc1.
What is the InChIKey of 4-(N-[1-(2,3-dihydro-1-benzofuran-5-yl)dibenzofuran-3-yl]anilino)phenol?
The InChIKey is MTSTUAFAKWJMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23NO3/c34-26-13-11-24(12-14-26)33(23-6-2-1-3-7-23)25-19-28(21-10-15-29-22(18-21)16-17-35-29)32-27-8-4-5-9-30(27)36-31(32)20-25/h1-15,18-20,34H,16-17H2.
What are the key properties of 4-(N-[1-(2,3-dihydro-1-benzofuran-5-yl)dibenzofuran-3-yl]anilino)phenol?
4-(N-[1-(2,3-dihydro-1-benzofuran-5-yl)dibenzofuran-3-yl]anilino)phenol has a molecular weight of 469.54 g/mol, XLogP of 8.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-[1-(2,3-dihydro-1-benzofuran-5-yl)dibenzofuran-3-yl]anilino)phenol is sourced from PubChem (CID 166039090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).