N-(3-dibenzothiophen-2-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine

C48H29NOS2 — CID 167397233

IUPACN-(3-dibenzothiophen-2-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4cccc(-c5ccc6sc7ccccc7c6c5)c4)c4cccc5c4oc4ccccc45)cccc23)cc1
InChIInChI=1S/C48H29NOS2/c1-2-12-30(13-3-1)34-18-9-20-38-39-21-11-23-42(48(39)52-47(34)38)49(41-22-10-19-37-35-16-4-6-24-43(35)50-46(37)41)33-15-8-14-31(28-33)32-26-27-45-40(29-32)36-17-5-7-25-44(36)51-45/h1-29H
InChIKeyDWUKBHYWNZLOHI-UHFFFAOYSA-N
MW699.90 g/mol
LogP15.13
Rot. Bonds5

About N-(3-dibenzothiophen-2-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine

N-(3-dibenzothiophen-2-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine (PubChem CID 167397233) has the molecular formula C48H29NOS2 and a molecular weight of 699.90 g/mol. Its IUPAC name is N-(3-dibenzothiophen-2-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-2-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
PubChem CID167397233
Molecular FormulaC48H29NOS2
Molecular Weight699.90 g/mol
Exact Mass699.17
IUPAC NameN-(3-dibenzothiophen-2-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4cccc(-c5ccc6sc7ccccc7c6c5)c4)c4cccc5c4oc4ccccc45)cccc23)cc1
InChIInChI=1S/C48H29NOS2/c1-2-12-30(13-3-1)34-18-9-20-38-39-21-11-23-42(48(39)52-47(34)38)49(41-22-10-19-37-35-16-4-6-24-43(35)50-46(37)41)33-15-8-14-31(28-33)32-26-27-45-40(29-32)36-17-5-7-25-44(36)51-45/h1-29H
InChIKeyDWUKBHYWNZLOHI-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-dibenzothiophen-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 167397265
N-dibenzothiophen-2-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine
CID 163977940
N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
CID 167325008
N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163662266
N-(6-phenyldibenzothiophen-4-yl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 167397269
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 167397285
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine
CID 164972461
N-dibenzofuran-4-yl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]dibenzofuran-4-amine
CID 164988843
N,N-bis(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline
CID 118428236
N-(3-dibenzothiophen-4-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-4-amine
CID 167234647
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine
CID 165023327
N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 167324430

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-2-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine?
The IUPAC name of N-(3-dibenzothiophen-2-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine (CID 167397233) is N-(3-dibenzothiophen-2-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine.
What is the SMILES notation for N-(3-dibenzothiophen-2-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine?
The canonical SMILES for N-(3-dibenzothiophen-2-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine is c1ccc(-c2cccc3c2sc2c(N(c4cccc(-c5ccc6sc7ccccc7c6c5)c4)c4cccc5c4oc4ccccc45)cccc23)cc1.
What is the InChIKey of N-(3-dibenzothiophen-2-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine?
The InChIKey is DWUKBHYWNZLOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NOS2/c1-2-12-30(13-3-1)34-18-9-20-38-39-21-11-23-42(48(39)52-47(34)38)49(41-22-10-19-37-35-16-4-6-24-43(35)50-46(37)41)33-15-8-14-31(28-33)32-26-27-45-40(29-32)36-17-5-7-25-44(36)51-45/h1-29H.
What are the key properties of N-(3-dibenzothiophen-2-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine?
N-(3-dibenzothiophen-2-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-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-2-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine is sourced from PubChem (CID 167397233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).