N-dibenzothiophen-2-yl-6-phenyl-N-(6-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine

C48H29NOS2 — CID 167397749

IUPACN-dibenzothiophen-2-yl-6-phenyl-N-(6-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2cccc3c2oc2c(N(c4ccc5sc6ccccc6c5c4)c4cccc5sc6c(-c7ccccc7)cccc6c45)cccc23)cc1
InChIInChI=1S/C48H29NOS2/c1-3-13-30(14-4-1)33-18-9-20-36-37-21-11-24-41(47(37)50-46(33)36)49(32-27-28-43-39(29-32)35-17-7-8-25-42(35)51-43)40-23-12-26-44-45(40)38-22-10-19-34(48(38)52-44)31-15-5-2-6-16-31/h1-29H
InChIKeyHNTQOKGPFKQMTR-UHFFFAOYSA-N
MW699.90 g/mol
LogP15.13
Rot. Bonds5

About N-dibenzothiophen-2-yl-6-phenyl-N-(6-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine

N-dibenzothiophen-2-yl-6-phenyl-N-(6-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine (PubChem CID 167397749) has the molecular formula C48H29NOS2 and a molecular weight of 699.90 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-6-phenyl-N-(6-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-6-phenyl-N-(6-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine
PubChem CID167397749
Molecular FormulaC48H29NOS2
Molecular Weight699.90 g/mol
Exact Mass699.17
IUPAC NameN-dibenzothiophen-2-yl-6-phenyl-N-(6-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2cccc3c2oc2c(N(c4ccc5sc6ccccc6c5c4)c4cccc5sc6c(-c7ccccc7)cccc6c45)cccc23)cc1
InChIInChI=1S/C48H29NOS2/c1-3-13-30(14-4-1)33-18-9-20-36-37-21-11-24-41(47(37)50-46(33)36)49(32-27-28-43-39(29-32)35-17-7-8-25-42(35)51-43)40-23-12-26-44-45(40)38-22-10-19-34(48(38)52-44)31-15-5-2-6-16-31/h1-29H
InChIKeyHNTQOKGPFKQMTR-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-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396254
N-dibenzothiophen-2-yl-6-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 167396326
N-dibenzothiophen-4-yl-N-(4-dibenzothiophen-1-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396325
N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396991
N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-amine
CID 167396373
N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 167397670
N-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396444
N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine
CID 161104445
N-(6-phenyldibenzothiophen-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 163482612
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-dibenzothiophen-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 167397265
N-dibenzothiophen-4-yl-N,10-diphenylnaphtho[1,2-b][1]benzofuran-5-amine
CID 167402199

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-6-phenyl-N-(6-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine?
The IUPAC name of N-dibenzothiophen-2-yl-6-phenyl-N-(6-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine (CID 167397749) is N-dibenzothiophen-2-yl-6-phenyl-N-(6-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-6-phenyl-N-(6-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-6-phenyl-N-(6-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine is c1ccc(-c2cccc3c2oc2c(N(c4ccc5sc6ccccc6c5c4)c4cccc5sc6c(-c7ccccc7)cccc6c45)cccc23)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-6-phenyl-N-(6-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine?
The InChIKey is HNTQOKGPFKQMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NOS2/c1-3-13-30(14-4-1)33-18-9-20-36-37-21-11-24-41(47(37)50-46(33)36)49(32-27-28-43-39(29-32)35-17-7-8-25-42(35)51-43)40-23-12-26-44-45(40)38-22-10-19-34(48(38)52-44)31-15-5-2-6-16-31/h1-29H.
What are the key properties of N-dibenzothiophen-2-yl-6-phenyl-N-(6-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine?
N-dibenzothiophen-2-yl-6-phenyl-N-(6-phenyldibenzothiophen-1-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-dibenzothiophen-2-yl-6-phenyl-N-(6-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine is sourced from PubChem (CID 167397749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).