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

C48H29NO2S — CID 164955404

IUPACN-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-4-amine
SMILESc1cc(-c2ccc3c(c2)oc2ccccc23)cc(N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C48H29NO2S/c1-4-16-43-36(11-1)38-25-21-32(28-45(38)50-43)30-19-23-34(24-20-30)49(42-15-8-14-41-40-13-3-6-18-47(40)52-48(41)42)35-10-7-9-31(27-35)33-22-26-39-37-12-2-5-17-44(37)51-46(39)29-33/h1-29H
InChIKeyNAGSQISTPFFZPG-UHFFFAOYSA-N
MW683.83 g/mol
LogP14.66
Rot. Bonds5

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

N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-4-amine (PubChem CID 164955404) has the molecular formula C48H29NO2S and a molecular weight of 683.83 g/mol. Its IUPAC name is N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-4-amine
PubChem CID164955404
Molecular FormulaC48H29NO2S
Molecular Weight683.83 g/mol
Exact Mass683.19
IUPAC NameN-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-4-amine
SMILESc1cc(-c2ccc3c(c2)oc2ccccc23)cc(N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C48H29NO2S/c1-4-16-43-36(11-1)38-25-21-32(28-45(38)50-43)30-19-23-34(24-20-30)49(42-15-8-14-41-40-13-3-6-18-47(40)52-48(41)42)35-10-7-9-31(27-35)33-22-26-39-37-12-2-5-17-44(37)51-46(39)29-33/h1-29H
InChIKeyNAGSQISTPFFZPG-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-[3-[3-[dibenzofuran-3-yl(dibenzothiophen-4-yl)amino]phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 167086280
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 174322209
N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-1-amine
CID 164950019
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine
CID 164949044
N-dibenzothiophen-4-yl-N-[3-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 154605494
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-phenyldibenzothiophen-4-amine
CID 170031914
N-[3-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 177084663
N-dibenzothiophen-4-yl-N-phenyl-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 146494386
1-N-dibenzofuran-3-yl-6-N,6-N-diphenyl-1-N-(4-phenylphenyl)dibenzothiophene-1,6-diamine;1-N-dibenzofuran-3-yl-1-N-(4-naphthalen-2-ylphenyl)-6-N,6-N-diphenyldibenzothiophene-1,6-diamine
CID 158546525
N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine
CID 163425297
N,N-bis(4-naphthalen-1-ylphenyl)-8-phenylphenanthren-1-amine;N-(4-naphthalen-1-ylphenyl)-N-(8-phenylphenanthren-1-yl)dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-(8-phenylphenanthren-1-yl)dibenzothiophen-4-amine;N-(4-naphthalen-1-ylphenyl)-8-phenyl-N-(4-phenylphenyl)phenanthren-1-amine
CID 157163450
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine
CID 164962758

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-4-amine (CID 164955404) is N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-4-amine is c1cc(-c2ccc3c(c2)oc2ccccc23)cc(N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-4-amine?
The InChIKey is NAGSQISTPFFZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NO2S/c1-4-16-43-36(11-1)38-25-21-32(28-45(38)50-43)30-19-23-34(24-20-30)49(42-15-8-14-41-40-13-3-6-18-47(40)52-48(41)42)35-10-7-9-31(27-35)33-22-26-39-37-12-2-5-17-44(37)51-46(39)29-33/h1-29H.
What are the key properties of N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-4-amine?
N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-4-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 N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 164955404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).