N-(4-dibenzofuran-4-ylphenyl)-N-(3,5-diphenylphenyl)-1-phenyldibenzothiophen-4-amine

C54H35NOS — CID 171434894

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-(3,5-diphenylphenyl)-1-phenyldibenzothiophen-4-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-c4ccccc4)c4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C54H35NOS/c1-4-15-36(16-5-1)40-33-41(37-17-6-2-7-18-37)35-43(34-40)55(42-29-27-39(28-30-42)45-23-14-24-47-46-21-10-12-25-50(46)56-53(45)47)49-32-31-44(38-19-8-3-9-20-38)52-48-22-11-13-26-51(48)57-54(49)52/h1-35H
InChIKeyDGFGQAKDZTZZNN-UHFFFAOYSA-N
MW745.95 g/mol
LogP16.09
Rot. Bonds7

About N-(4-dibenzofuran-4-ylphenyl)-N-(3,5-diphenylphenyl)-1-phenyldibenzothiophen-4-amine

N-(4-dibenzofuran-4-ylphenyl)-N-(3,5-diphenylphenyl)-1-phenyldibenzothiophen-4-amine (PubChem CID 171434894) has the molecular formula C54H35NOS and a molecular weight of 745.95 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-(3,5-diphenylphenyl)-1-phenyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-(3,5-diphenylphenyl)-1-phenyldibenzothiophen-4-amine
PubChem CID171434894
Molecular FormulaC54H35NOS
Molecular Weight745.95 g/mol
Exact Mass745.24
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-(3,5-diphenylphenyl)-1-phenyldibenzothiophen-4-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-c4ccccc4)c4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C54H35NOS/c1-4-15-36(16-5-1)40-33-41(37-17-6-2-7-18-37)35-43(34-40)55(42-29-27-39(28-30-42)45-23-14-24-47-46-21-10-12-25-50(46)56-53(45)47)49-32-31-44(38-19-8-3-9-20-38)52-48-22-11-13-26-51(48)57-54(49)52/h1-35H
InChIKeyDGFGQAKDZTZZNN-UHFFFAOYSA-N
XLogP16.09
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.95
LogP ≤ 516.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 168804602
N-(1-phenyldibenzothiophen-4-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171435266
N-(4-dibenzofuran-1-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 171435301
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[4-[4-(4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]dibenzothiophen-1-yl]phenyl]phenyl]-4-phenylaniline
CID 170278959
N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 171434983
N,4-bis(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 176824673
N-(4-dibenzofuran-3-ylphenyl)-N,1-diphenyldibenzothiophen-4-amine
CID 171435391
N-(1-phenyldibenzothiophen-4-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 171435113
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-4-amine
CID 164955400
N-(4-dibenzofuran-4-ylphenyl)-6,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168771936
N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine
CID 171435226
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-1-amine
CID 164968895

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(3,5-diphenylphenyl)-1-phenyldibenzothiophen-4-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(3,5-diphenylphenyl)-1-phenyldibenzothiophen-4-amine (CID 171434894) is N-(4-dibenzofuran-4-ylphenyl)-N-(3,5-diphenylphenyl)-1-phenyldibenzothiophen-4-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-(3,5-diphenylphenyl)-1-phenyldibenzothiophen-4-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-(3,5-diphenylphenyl)-1-phenyldibenzothiophen-4-amine is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-c4ccccc4)c4c3sc3ccccc34)c2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-(3,5-diphenylphenyl)-1-phenyldibenzothiophen-4-amine?
The InChIKey is DGFGQAKDZTZZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NOS/c1-4-15-36(16-5-1)40-33-41(37-17-6-2-7-18-37)35-43(34-40)55(42-29-27-39(28-30-42)45-23-14-24-47-46-21-10-12-25-50(46)56-53(45)47)49-32-31-44(38-19-8-3-9-20-38)52-48-22-11-13-26-51(48)57-54(49)52/h1-35H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-(3,5-diphenylphenyl)-1-phenyldibenzothiophen-4-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-(3,5-diphenylphenyl)-1-phenyldibenzothiophen-4-amine has a molecular weight of 745.95 g/mol, XLogP of 16.09, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-(3,5-diphenylphenyl)-1-phenyldibenzothiophen-4-amine is sourced from PubChem (CID 171434894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).