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

C48H29NOS2 — CID 167396642

IUPACN-(4-dibenzothiophen-3-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)c4ccc5oc6ccccc6c5c4)cccc23)cc1
InChIInChI=1S/C48H29NOS2/c1-2-10-31(11-3-1)35-14-8-15-39-40-16-9-17-42(48(40)52-47(35)39)49(34-25-27-44-41(29-34)36-12-4-6-18-43(36)50-44)33-23-20-30(21-24-33)32-22-26-38-37-13-5-7-19-45(37)51-46(38)28-32/h1-29H
InChIKeyYQRUUSPYHUYBFX-UHFFFAOYSA-N
MW699.90 g/mol
LogP15.13
Rot. Bonds5

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

N-(4-dibenzothiophen-3-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine (PubChem CID 167396642) has the molecular formula C48H29NOS2 and a molecular weight of 699.90 g/mol. Its IUPAC name is N-(4-dibenzothiophen-3-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-3-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine
PubChem CID167396642
Molecular FormulaC48H29NOS2
Molecular Weight699.90 g/mol
Exact Mass699.17
IUPAC NameN-(4-dibenzothiophen-3-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)c4ccc5oc6ccccc6c5c4)cccc23)cc1
InChIInChI=1S/C48H29NOS2/c1-2-10-31(11-3-1)35-14-8-15-39-40-16-9-17-42(48(40)52-47(35)39)49(34-25-27-44-41(29-34)36-12-4-6-18-43(36)50-44)33-23-20-30(21-24-33)32-22-26-38-37-13-5-7-19-45(37)51-46(38)28-32/h1-29H
InChIKeyYQRUUSPYHUYBFX-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-dibenzothiophen-3-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167396935
N-(4-dibenzofuran-2-ylphenyl)-6-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 167396586
N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-amine
CID 146494387
N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine
CID 167396270
N-dibenzothiophen-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 167397265
7-N-dibenzofuran-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N-(4-naphthalen-1-ylphenyl)-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 167608369
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzofuran-2-amine;N,N-di(dibenzofuran-3-yl)dibenzofuran-3-amine;N,N-di(dibenzothiophen-3-yl)dibenzothiophen-3-amine;N,N-di(dibenzothiophen-4-yl)dibenzothiophen-4-amine
CID 158783151
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine
CID 164949044
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine
CID 164971694
N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine
CID 163425297
3-N-[2-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-6-N,6-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,6-diamine;6-N-dibenzothiophen-3-yl-3-N,9-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-6-N-(4-phenylphenyl)dibenzothiophene-3,6-diamine
CID 161050530
N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397214

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-3-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine?
The IUPAC name of N-(4-dibenzothiophen-3-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine (CID 167396642) is N-(4-dibenzothiophen-3-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine.
What is the SMILES notation for N-(4-dibenzothiophen-3-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine?
The canonical SMILES for N-(4-dibenzothiophen-3-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine is c1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)c4ccc5oc6ccccc6c5c4)cccc23)cc1.
What is the InChIKey of N-(4-dibenzothiophen-3-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine?
The InChIKey is YQRUUSPYHUYBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NOS2/c1-2-10-31(11-3-1)35-14-8-15-39-40-16-9-17-42(48(40)52-47(35)39)49(34-25-27-44-41(29-34)36-12-4-6-18-43(36)50-44)33-23-20-30(21-24-33)32-22-26-38-37-13-5-7-19-45(37)51-46(38)28-32/h1-29H.
What are the key properties of N-(4-dibenzothiophen-3-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine?
N-(4-dibenzothiophen-3-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-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-(4-dibenzothiophen-3-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine is sourced from PubChem (CID 167396642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).