4-(3-dibenzofuran-3-ylphenyl)-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-1-amine

C48H29NOS2 — CID 176824666

IUPAC4-(3-dibenzofuran-3-ylphenyl)-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-1-amine
SMILESc1ccc(N(c2ccc3sc4ccccc4c3c2)c2ccc(-c3cccc(-c4ccc5c(c4)oc4ccccc45)c3)c3sc4ccccc4c23)cc1
InChIInChI=1S/C48H29NOS2/c1-2-13-33(14-3-1)49(34-22-26-46-40(29-34)38-16-5-8-19-44(38)51-46)41-25-24-35(48-47(41)39-17-6-9-20-45(39)52-48)32-12-10-11-30(27-32)31-21-23-37-36-15-4-7-18-42(36)50-43(37)28-31/h1-29H
InChIKeyNJZUSFJAJLJGSS-UHFFFAOYSA-N
MW699.90 g/mol
LogP15.13
Rot. Bonds5

About 4-(3-dibenzofuran-3-ylphenyl)-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-1-amine

4-(3-dibenzofuran-3-ylphenyl)-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-1-amine (PubChem CID 176824666) has the molecular formula C48H29NOS2 and a molecular weight of 699.90 g/mol. Its IUPAC name is 4-(3-dibenzofuran-3-ylphenyl)-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-1-amine.

Molecular Properties

Compound Name4-(3-dibenzofuran-3-ylphenyl)-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-1-amine
PubChem CID176824666
Molecular FormulaC48H29NOS2
Molecular Weight699.90 g/mol
Exact Mass699.17
IUPAC Name4-(3-dibenzofuran-3-ylphenyl)-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-1-amine
SMILESc1ccc(N(c2ccc3sc4ccccc4c3c2)c2ccc(-c3cccc(-c4ccc5c(c4)oc4ccccc45)c3)c3sc4ccccc4c23)cc1
InChIInChI=1S/C48H29NOS2/c1-2-13-33(14-3-1)49(34-22-26-46-40(29-34)38-16-5-8-19-44(38)51-46)41-25-24-35(48-47(41)39-17-6-9-20-45(39)52-48)32-12-10-11-30(27-32)31-21-23-37-36-15-4-7-18-42(36)50-43(37)28-31/h1-29H
InChIKeyNJZUSFJAJLJGSS-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-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzofuran-3-amine
CID 153299753
N-dibenzothiophen-2-yl-7-[4-(4-dibenzothiophen-2-yl-N-dibenzothiophen-3-ylanilino)-3-(3-phenylphenyl)phenyl]-N-phenyldibenzofuran-1-amine
CID 164934340
N-(4-dibenzofuran-3-ylphenyl)-N,1-diphenyldibenzothiophen-4-amine
CID 171435391
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
1-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 170050952
N-dibenzothiophen-3-yl-N-phenyl-4-[9-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-1-amine
CID 165158314
N,N-bis(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine;N,N-bis(4-dibenzothiophen-2-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-3-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzofuran-3-amine
CID 165033470
N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-4-amine
CID 164955404
4-[7-(3-dibenzofuran-3-ylphenyl)dibenzothiophen-2-yl]-N,N-diphenylaniline
CID 90076355
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
CID 165073444
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129119904
N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 171434983

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-3-ylphenyl)-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-1-amine?
The IUPAC name of 4-(3-dibenzofuran-3-ylphenyl)-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-1-amine (CID 176824666) is 4-(3-dibenzofuran-3-ylphenyl)-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-1-amine.
What is the SMILES notation for 4-(3-dibenzofuran-3-ylphenyl)-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-1-amine?
The canonical SMILES for 4-(3-dibenzofuran-3-ylphenyl)-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-1-amine is c1ccc(N(c2ccc3sc4ccccc4c3c2)c2ccc(-c3cccc(-c4ccc5c(c4)oc4ccccc45)c3)c3sc4ccccc4c23)cc1.
What is the InChIKey of 4-(3-dibenzofuran-3-ylphenyl)-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-1-amine?
The InChIKey is NJZUSFJAJLJGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NOS2/c1-2-13-33(14-3-1)49(34-22-26-46-40(29-34)38-16-5-8-19-44(38)51-46)41-25-24-35(48-47(41)39-17-6-9-20-45(39)52-48)32-12-10-11-30(27-32)31-21-23-37-36-15-4-7-18-42(36)50-43(37)28-31/h1-29H.
What are the key properties of 4-(3-dibenzofuran-3-ylphenyl)-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-1-amine?
4-(3-dibenzofuran-3-ylphenyl)-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-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 4-(3-dibenzofuran-3-ylphenyl)-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-1-amine is sourced from PubChem (CID 176824666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).