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

C48H29NO2S — CID 164987719

IUPACN-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-amine
SMILESc1cc(-c2cccc3oc4ccccc4c23)cc(N(c2ccc(-c3cccc4sc5ccccc5c34)cc2)c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C48H29NO2S/c1-4-20-41-36(13-1)37-18-8-19-40(48(37)51-41)49(32-27-25-30(26-28-32)34-17-10-24-45-47(34)39-15-3-6-23-44(39)52-45)33-12-7-11-31(29-33)35-16-9-22-43-46(35)38-14-2-5-21-42(38)50-43/h1-29H
InChIKeySATISICGLLIEHB-UHFFFAOYSA-N
MW683.83 g/mol
LogP14.66
Rot. Bonds5

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

N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-amine (PubChem CID 164987719) has the molecular formula C48H29NO2S and a molecular weight of 683.83 g/mol. Its IUPAC name is N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-amine
PubChem CID164987719
Molecular FormulaC48H29NO2S
Molecular Weight683.83 g/mol
Exact Mass683.19
IUPAC NameN-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-amine
SMILESc1cc(-c2cccc3oc4ccccc4c23)cc(N(c2ccc(-c3cccc4sc5ccccc5c34)cc2)c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C48H29NO2S/c1-4-20-41-36(13-1)37-18-8-19-40(48(37)51-41)49(32-27-25-30(26-28-32)34-17-10-24-45-47(34)39-15-3-6-23-44(39)52-45)33-12-7-11-31(29-33)35-16-9-22-43-46(35)38-14-2-5-21-42(38)50-43/h1-29H
InChIKeySATISICGLLIEHB-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-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)naphthalen-1-amine
CID 170676842
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-ylaniline
CID 168767167
8-(8-dibenzofuran-2-yldibenzothiophen-1-yl)-N,N-diphenyldibenzofuran-4-amine
CID 174244486
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-4-amine
CID 164955400
N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 170535175
N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 148814620
N-dibenzofuran-4-yl-N-[3-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-4-amine
CID 164965115
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine
CID 164955606
N-dibenzothiophen-3-yl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-4-amine
CID 140943740
N-(3-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine
CID 165004236
N-(3-dibenzothiophen-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-4-amine
CID 155303419
N-(4-dibenzothiophen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172503042

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-amine (CID 164987719) is N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-amine is c1cc(-c2cccc3oc4ccccc4c23)cc(N(c2ccc(-c3cccc4sc5ccccc5c34)cc2)c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-amine?
The InChIKey is SATISICGLLIEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NO2S/c1-4-20-41-36(13-1)37-18-8-19-40(48(37)51-41)49(32-27-25-30(26-28-32)34-17-10-24-45-47(34)39-15-3-6-23-44(39)52-45)33-12-7-11-31(29-33)35-16-9-22-43-46(35)38-14-2-5-21-42(38)50-43/h1-29H.
What are the key properties of N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-amine?
N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-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-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 164987719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).