N,4-bis(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine

C54H33NO2S — CID 176824673

IUPACN,4-bis(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine
SMILESc1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3sc4ccccc4c23)cc1
InChIInChI=1S/C54H33NO2S/c1-2-12-37(13-3-1)55(38-30-28-35(29-31-38)40-18-11-20-45-43-15-5-8-22-49(43)57-53(40)45)47-33-32-41(54-51(47)46-16-6-9-23-50(46)58-54)36-26-24-34(25-27-36)39-17-10-19-44-42-14-4-7-21-48(42)56-52(39)44/h1-33H
InChIKeyQYLPPOFDXHHJEB-UHFFFAOYSA-N
MW759.93 g/mol
LogP16.32
Rot. Bonds6

About N,4-bis(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine

N,4-bis(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine (PubChem CID 176824673) has the molecular formula C54H33NO2S and a molecular weight of 759.93 g/mol. Its IUPAC name is N,4-bis(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine.

Molecular Properties

Compound NameN,4-bis(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine
PubChem CID176824673
Molecular FormulaC54H33NO2S
Molecular Weight759.93 g/mol
Exact Mass759.22
IUPAC NameN,4-bis(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine
SMILESc1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3sc4ccccc4c23)cc1
InChIInChI=1S/C54H33NO2S/c1-2-12-37(13-3-1)55(38-30-28-35(29-31-38)40-18-11-20-45-43-15-5-8-22-49(43)57-53(40)45)47-33-32-41(54-51(47)46-16-6-9-23-50(46)58-54)36-26-24-34(25-27-36)39-17-10-19-44-42-14-4-7-21-48(42)56-52(39)44/h1-33H
InChIKeyQYLPPOFDXHHJEB-UHFFFAOYSA-N
XLogP16.32
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.93
LogP ≤ 516.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 176608553
N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167329288
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-1-amine
CID 164968895
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186805
N-(4-dibenzofuran-4-ylphenyl)-N-(3,5-diphenylphenyl)-1-phenyldibenzothiophen-4-amine
CID 171434894
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501986
4-phenyl-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164744420
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-(4-dibenzofuran-4-ylphenyl)-6,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168771936
1-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 168804602
N-(4-dibenzofuran-4-ylphenyl)-4-naphtho[2,1-b][1]benzothiol-4-yl-N-phenylaniline
CID 170040489
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 59022085

Frequently Asked Questions

What is the IUPAC name of N,4-bis(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine?
The IUPAC name of N,4-bis(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine (CID 176824673) is N,4-bis(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine.
What is the SMILES notation for N,4-bis(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine?
The canonical SMILES for N,4-bis(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine is c1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3sc4ccccc4c23)cc1.
What is the InChIKey of N,4-bis(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine?
The InChIKey is QYLPPOFDXHHJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NO2S/c1-2-12-37(13-3-1)55(38-30-28-35(29-31-38)40-18-11-20-45-43-15-5-8-22-49(43)57-53(40)45)47-33-32-41(54-51(47)46-16-6-9-23-50(46)58-54)36-26-24-34(25-27-36)39-17-10-19-44-42-14-4-7-21-48(42)56-52(39)44/h1-33H.
What are the key properties of N,4-bis(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine?
N,4-bis(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine has a molecular weight of 759.93 g/mol, XLogP of 16.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine is sourced from PubChem (CID 176824673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).