N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)dibenzofuran-1-amine

C48H29NO2S — CID 165006539

IUPACN-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)dibenzofuran-1-amine
SMILESc1cc(-c2cccc3c2oc2ccccc23)cc(N(c2cccc(-c3cccc4c3sc3ccccc34)c2)c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C48H29NO2S/c1-4-24-42-36(16-1)38-21-9-19-34(47(38)51-42)30-12-7-14-32(28-30)49(41-23-11-26-44-46(41)40-18-2-5-25-43(40)50-44)33-15-8-13-31(29-33)35-20-10-22-39-37-17-3-6-27-45(37)52-48(35)39/h1-29H
InChIKeyFYNDNRSRLKMUML-UHFFFAOYSA-N
MW683.83 g/mol
LogP14.66
Rot. Bonds5

About N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)dibenzofuran-1-amine

N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)dibenzofuran-1-amine (PubChem CID 165006539) has the molecular formula C48H29NO2S and a molecular weight of 683.83 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)dibenzofuran-1-amine
PubChem CID165006539
Molecular FormulaC48H29NO2S
Molecular Weight683.83 g/mol
Exact Mass683.19
IUPAC NameN-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)dibenzofuran-1-amine
SMILESc1cc(-c2cccc3c2oc2ccccc23)cc(N(c2cccc(-c3cccc4c3sc3ccccc34)c2)c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C48H29NO2S/c1-4-24-42-36(16-1)38-21-9-19-34(47(38)51-42)30-12-7-14-32(28-30)49(41-23-11-26-44-46(41)40-18-2-5-25-43(40)50-44)33-15-8-13-31(29-33)35-20-10-22-39-37-17-3-6-27-45(37)52-48(35)39/h1-29H
InChIKeyFYNDNRSRLKMUML-UHFFFAOYSA-N
XLogP14.66
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.83
LogP ≤ 514.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-4-amine
CID 164955400
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788439
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine
CID 164955606
N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzofuran-1-amine;N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-1-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzofuran-1-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-1-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-1-amine
CID 164950013
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501986
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 155624044
N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396991
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155187031
N-(3-dibenzofuran-4-ylphenyl)-N-[3-dibenzothiophen-4-yl-2-(3-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 170666119
N-(3-dibenzofuran-1-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-1-ylaniline
CID 168766720
N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424253
N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine
CID 155186822

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)dibenzofuran-1-amine (CID 165006539) is N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)dibenzofuran-1-amine is c1cc(-c2cccc3c2oc2ccccc23)cc(N(c2cccc(-c3cccc4c3sc3ccccc34)c2)c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)dibenzofuran-1-amine?
The InChIKey is FYNDNRSRLKMUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NO2S/c1-4-24-42-36(16-1)38-21-9-19-34(47(38)51-42)30-12-7-14-32(28-30)49(41-23-11-26-44-46(41)40-18-2-5-25-43(40)50-44)33-15-8-13-31(29-33)35-20-10-22-39-37-17-3-6-27-45(37)52-48(35)39/h1-29H.
What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)dibenzofuran-1-amine?
N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)dibenzofuran-1-amine has a molecular weight of 683.83 g/mol, XLogP of 14.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 165006539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).