6-(6-dibenzothiophen-2-yldibenzofuran-4-yl)-N,N-diphenyldibenzofuran-3-amine

C48H29NO2S — CID 174244148

IUPAC6-(6-dibenzothiophen-2-yldibenzofuran-4-yl)-N,N-diphenyldibenzofuran-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)oc2c(-c4cccc5c4oc4c(-c6ccc7sc8ccccc8c7c6)cccc45)cccc23)cc1
InChIInChI=1S/C48H29NO2S/c1-3-12-31(13-4-1)49(32-14-5-2-6-15-32)33-25-26-35-37-18-10-20-39(47(37)50-43(35)29-33)41-22-11-21-40-38-19-9-17-34(46(38)51-48(40)41)30-24-27-45-42(28-30)36-16-7-8-23-44(36)52-45/h1-29H
InChIKeyAEQDJQRAKNVXMQ-UHFFFAOYSA-N
MW683.83 g/mol
LogP14.66
Rot. Bonds5

About 6-(6-dibenzothiophen-2-yldibenzofuran-4-yl)-N,N-diphenyldibenzofuran-3-amine

6-(6-dibenzothiophen-2-yldibenzofuran-4-yl)-N,N-diphenyldibenzofuran-3-amine (PubChem CID 174244148) has the molecular formula C48H29NO2S and a molecular weight of 683.83 g/mol. Its IUPAC name is 6-(6-dibenzothiophen-2-yldibenzofuran-4-yl)-N,N-diphenyldibenzofuran-3-amine.

Molecular Properties

Compound Name6-(6-dibenzothiophen-2-yldibenzofuran-4-yl)-N,N-diphenyldibenzofuran-3-amine
PubChem CID174244148
Molecular FormulaC48H29NO2S
Molecular Weight683.83 g/mol
Exact Mass683.19
IUPAC Name6-(6-dibenzothiophen-2-yldibenzofuran-4-yl)-N,N-diphenyldibenzofuran-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)oc2c(-c4cccc5c4oc4c(-c6ccc7sc8ccccc8c7c6)cccc45)cccc23)cc1
InChIInChI=1S/C48H29NO2S/c1-3-12-31(13-4-1)49(32-14-5-2-6-15-32)33-25-26-35-37-18-10-20-39(47(37)50-43(35)29-33)41-22-11-21-40-38-19-9-17-34(46(38)51-48(40)41)30-24-27-45-42(28-30)36-16-7-8-23-44(36)52-45/h1-29H
InChIKeyAEQDJQRAKNVXMQ-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,N-bis(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline
CID 118428236
8-(6-dibenzofuran-3-yldibenzofuran-2-yl)-N-phenyl-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 174244859
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90351045
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline
CID 118428237
N-(4-dibenzothiophen-2-ylphenyl)-4-(6-phenyldibenzofuran-2-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168804879
N,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine
CID 157196864
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
CID 165073444
N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 170096072
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine
CID 165074759
N-(4-dibenzofuran-4-ylphenyl)-4-naphtho[2,1-b][1]benzothiol-4-yl-N-phenylaniline
CID 170040489
N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine
CID 167402936
N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-amine
CID 167396373

Frequently Asked Questions

What is the IUPAC name of 6-(6-dibenzothiophen-2-yldibenzofuran-4-yl)-N,N-diphenyldibenzofuran-3-amine?
The IUPAC name of 6-(6-dibenzothiophen-2-yldibenzofuran-4-yl)-N,N-diphenyldibenzofuran-3-amine (CID 174244148) is 6-(6-dibenzothiophen-2-yldibenzofuran-4-yl)-N,N-diphenyldibenzofuran-3-amine.
What is the SMILES notation for 6-(6-dibenzothiophen-2-yldibenzofuran-4-yl)-N,N-diphenyldibenzofuran-3-amine?
The canonical SMILES for 6-(6-dibenzothiophen-2-yldibenzofuran-4-yl)-N,N-diphenyldibenzofuran-3-amine is c1ccc(N(c2ccccc2)c2ccc3c(c2)oc2c(-c4cccc5c4oc4c(-c6ccc7sc8ccccc8c7c6)cccc45)cccc23)cc1.
What is the InChIKey of 6-(6-dibenzothiophen-2-yldibenzofuran-4-yl)-N,N-diphenyldibenzofuran-3-amine?
The InChIKey is AEQDJQRAKNVXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NO2S/c1-3-12-31(13-4-1)49(32-14-5-2-6-15-32)33-25-26-35-37-18-10-20-39(47(37)50-43(35)29-33)41-22-11-21-40-38-19-9-17-34(46(38)51-48(40)41)30-24-27-45-42(28-30)36-16-7-8-23-44(36)52-45/h1-29H.
What are the key properties of 6-(6-dibenzothiophen-2-yldibenzofuran-4-yl)-N,N-diphenyldibenzofuran-3-amine?
6-(6-dibenzothiophen-2-yldibenzofuran-4-yl)-N,N-diphenyldibenzofuran-3-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 6-(6-dibenzothiophen-2-yldibenzofuran-4-yl)-N,N-diphenyldibenzofuran-3-amine is sourced from PubChem (CID 174244148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).