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

C48H29NOS2 — CID 164955606

IUPACN-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine
SMILESc1cc(-c2cccc3c2sc2ccccc23)cc(N(c2ccc(-c3cccc4sc5ccccc5c34)cc2)c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C48H29NOS2/c1-4-20-41-38(14-1)47-40(19-10-21-42(47)50-41)49(32-27-25-30(26-28-32)34-16-9-24-45-46(34)39-15-3-6-23-44(39)51-45)33-12-7-11-31(29-33)35-17-8-18-37-36-13-2-5-22-43(36)52-48(35)37/h1-29H
InChIKeyKPOQTWMFJRUGQE-UHFFFAOYSA-N
MW699.90 g/mol
LogP15.13
Rot. Bonds5

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

N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine (PubChem CID 164955606) has the molecular formula C48H29NOS2 and a molecular weight of 699.90 g/mol. Its IUPAC name is N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine
PubChem CID164955606
Molecular FormulaC48H29NOS2
Molecular Weight699.90 g/mol
Exact Mass699.17
IUPAC NameN-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine
SMILESc1cc(-c2cccc3c2sc2ccccc23)cc(N(c2ccc(-c3cccc4sc5ccccc5c34)cc2)c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C48H29NOS2/c1-4-20-41-38(14-1)47-40(19-10-21-42(47)50-41)49(32-27-25-30(26-28-32)34-16-9-24-45-46(34)39-15-3-6-23-44(39)51-45)33-12-7-11-31(29-33)35-17-8-18-37-36-13-2-5-22-43(36)52-48(35)37/h1-29H
InChIKeyKPOQTWMFJRUGQE-UHFFFAOYSA-N
XLogP15.13
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.90
LogP ≤ 515.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine
CID 165004236
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155187031
N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 148814620
N-(4-dibenzofuran-1-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168789320
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 155624044
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186790
N-(3-dibenzothiophen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 149256598
N-(4-dibenzofuran-1-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-ylaniline
CID 168767116
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-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)dibenzofuran-1-amine
CID 165006539
N-(4-dibenzothiophen-4-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine
CID 167397298
N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 170535175

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine (CID 164955606) is N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine is c1cc(-c2cccc3c2sc2ccccc23)cc(N(c2ccc(-c3cccc4sc5ccccc5c34)cc2)c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine?
The InChIKey is KPOQTWMFJRUGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NOS2/c1-4-20-41-38(14-1)47-40(19-10-21-42(47)50-41)49(32-27-25-30(26-28-32)34-16-9-24-45-46(34)39-15-3-6-23-44(39)51-45)33-12-7-11-31(29-33)35-17-8-18-37-36-13-2-5-22-43(36)52-48(35)37/h1-29H.
What are the key properties of N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine?
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine has a molecular weight of 699.90 g/mol, XLogP of 15.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 164955606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).