3-[1-(N-phenylanilino)dibenzofuran-3-yl]oxyphenol

C30H21NO3 — CID 164760081

IUPAC3-[1-(N-phenylanilino)dibenzofuran-3-yl]oxyphenol
SMILESOc1cccc(Oc2cc(N(c3ccccc3)c3ccccc3)c3c(c2)oc2ccccc23)c1
InChIInChI=1S/C30H21NO3/c32-23-14-9-15-24(18-23)33-25-19-27(30-26-16-7-8-17-28(26)34-29(30)20-25)31(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-20,32H
InChIKeyNVGNXDKDXGAARK-UHFFFAOYSA-N
MW443.50 g/mol
LogP8.55
Rot. Bonds5

About 3-[1-(N-phenylanilino)dibenzofuran-3-yl]oxyphenol

3-[1-(N-phenylanilino)dibenzofuran-3-yl]oxyphenol (PubChem CID 164760081) has the molecular formula C30H21NO3 and a molecular weight of 443.50 g/mol. Its IUPAC name is 3-[1-(N-phenylanilino)dibenzofuran-3-yl]oxyphenol.

Molecular Properties

Compound Name3-[1-(N-phenylanilino)dibenzofuran-3-yl]oxyphenol
PubChem CID164760081
Molecular FormulaC30H21NO3
Molecular Weight443.50 g/mol
Exact Mass443.15
IUPAC Name3-[1-(N-phenylanilino)dibenzofuran-3-yl]oxyphenol
SMILESOc1cccc(Oc2cc(N(c3ccccc3)c3ccccc3)c3c(c2)oc2ccccc23)c1
InChIInChI=1S/C30H21NO3/c32-23-14-9-15-24(18-23)33-25-19-27(30-26-16-7-8-17-28(26)34-29(30)20-25)31(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-20,32H
InChIKeyNVGNXDKDXGAARK-UHFFFAOYSA-N
XLogP8.55
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 58.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-N-[3-[1-(N-pyridin-2-ylanilino)dibenzofuran-3-yl]oxydibenzofuran-1-yl]pyridin-2-amine
CID 153431692
10-N,21-N-bis(4-phenoxyphenyl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine
CID 155362364
1-N-dibenzofuran-3-yl-1-N,7-N,7-N-triphenyldibenzofuran-1,7-diamine
CID 146573998
N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167086573
11-N,11-N,23-N,23-N-tetraphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(24),2(10),4,6,8,11,13,16,18,20,22-undecaene-11,23-diamine
CID 70938435
N-[3-[3-(N-dibenzofuran-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 167086811
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-12-amine
CID 160898222
8-N,22-N-di(dibenzofuran-1-yl)-8-N,22-N-diphenyl-11,15,19-trioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine
CID 170235172
5-tert-butyl-3-N-[3-(N-(3-chlorodibenzofuran-1-yl)anilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 164760005
N-dibenzofuran-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine
CID 170301528
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 167323696
9-N,23-N-di(dibenzofuran-1-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155361145

Frequently Asked Questions

What is the IUPAC name of 3-[1-(N-phenylanilino)dibenzofuran-3-yl]oxyphenol?
The IUPAC name of 3-[1-(N-phenylanilino)dibenzofuran-3-yl]oxyphenol (CID 164760081) is 3-[1-(N-phenylanilino)dibenzofuran-3-yl]oxyphenol.
What is the SMILES notation for 3-[1-(N-phenylanilino)dibenzofuran-3-yl]oxyphenol?
The canonical SMILES for 3-[1-(N-phenylanilino)dibenzofuran-3-yl]oxyphenol is Oc1cccc(Oc2cc(N(c3ccccc3)c3ccccc3)c3c(c2)oc2ccccc23)c1.
What is the InChIKey of 3-[1-(N-phenylanilino)dibenzofuran-3-yl]oxyphenol?
The InChIKey is NVGNXDKDXGAARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21NO3/c32-23-14-9-15-24(18-23)33-25-19-27(30-26-16-7-8-17-28(26)34-29(30)20-25)31(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-20,32H.
What are the key properties of 3-[1-(N-phenylanilino)dibenzofuran-3-yl]oxyphenol?
3-[1-(N-phenylanilino)dibenzofuran-3-yl]oxyphenol has a molecular weight of 443.50 g/mol, XLogP of 8.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(N-phenylanilino)dibenzofuran-3-yl]oxyphenol is sourced from PubChem (CID 164760081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).