N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine

C48H29NO2S — CID 165074759

IUPACN-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine
SMILESc1ccc2c(c1)oc1ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5c(c4)sc4ccccc45)cc3)cc12
InChIInChI=1S/C48H29NO2S/c1-5-14-44-37(8-1)41-12-7-11-36(48(41)51-44)31-18-23-34(24-19-31)49(35-25-26-40-39-10-3-6-15-46(39)52-47(40)29-35)33-21-16-30(17-22-33)32-20-27-45-42(28-32)38-9-2-4-13-43(38)50-45/h1-29H
InChIKeyYOQHXNGXZOGRFO-UHFFFAOYSA-N
MW683.83 g/mol
LogP14.66
Rot. Bonds5

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

N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine (PubChem CID 165074759) has the molecular formula C48H29NO2S and a molecular weight of 683.83 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine
PubChem CID165074759
Molecular FormulaC48H29NO2S
Molecular Weight683.83 g/mol
Exact Mass683.19
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine
SMILESc1ccc2c(c1)oc1ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5c(c4)sc4ccccc45)cc3)cc12
InChIInChI=1S/C48H29NO2S/c1-5-14-44-37(8-1)41-12-7-11-36(48(41)51-44)31-18-23-34(24-19-31)49(35-25-26-40-39-10-3-6-15-46(39)52-47(40)29-35)33-21-16-30(17-22-33)32-20-27-45-42(28-32)38-9-2-4-13-43(38)50-45/h1-29H
InChIKeyYOQHXNGXZOGRFO-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-(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-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline
CID 118428237
N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine
CID 164975390
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
4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118406191
N-(4-dibenzothiophen-3-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805437
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-3-amine
CID 168804690
8-(6-dibenzofuran-3-yldibenzofuran-2-yl)-N-phenyl-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 174244859
N,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylaniline;7-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenylaniline
CID 160895838
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90351045
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-3-yl)dibenzofuran-2-amine
CID 168805153
N-(4-dibenzothiophen-2-ylphenyl)-4-(6-phenyldibenzofuran-2-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168804879

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine (CID 165074759) is N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine is c1ccc2c(c1)oc1ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5c(c4)sc4ccccc45)cc3)cc12.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine?
The InChIKey is YOQHXNGXZOGRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NO2S/c1-5-14-44-37(8-1)41-12-7-11-36(48(41)51-44)31-18-23-34(24-19-31)49(35-25-26-40-39-10-3-6-15-46(39)52-47(40)29-35)33-21-16-30(17-22-33)32-20-27-45-42(28-32)38-9-2-4-13-43(38)50-45/h1-29H.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine?
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-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 N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 165074759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).