N-(4-dibenzofuran-1-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline

C60H39NOS — CID 168789320

IUPACN-(4-dibenzofuran-1-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2cccc(-c3cccc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C60H39NOS/c1-3-17-40(18-4-1)46-23-7-8-25-51(46)58-47(41-19-5-2-6-20-41)27-15-31-54(58)61(44-37-35-42(36-38-44)48-28-16-33-56-59(48)53-26-9-11-32-55(53)62-56)45-22-13-21-43(39-45)49-29-14-30-52-50-24-10-12-34-57(50)63-60(49)52/h1-39H
InChIKeyDNZXQTMYDOQSHD-UHFFFAOYSA-N
MW822.05 g/mol
LogP17.76
Rot. Bonds8

About N-(4-dibenzofuran-1-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline

N-(4-dibenzofuran-1-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline (PubChem CID 168789320) has the molecular formula C60H39NOS and a molecular weight of 822.05 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
PubChem CID168789320
Molecular FormulaC60H39NOS
Molecular Weight822.05 g/mol
Exact Mass821.28
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2cccc(-c3cccc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C60H39NOS/c1-3-17-40(18-4-1)46-23-7-8-25-51(46)58-47(41-19-5-2-6-20-41)27-15-31-54(58)61(44-37-35-42(36-38-44)48-28-16-33-56-59(48)53-26-9-11-32-55(53)62-56)45-22-13-21-43(39-45)49-29-14-30-52-50-24-10-12-34-57(50)63-60(49)52/h1-39H
InChIKeyDNZXQTMYDOQSHD-UHFFFAOYSA-N
XLogP17.76
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.05
LogP ≤ 517.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788439
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine
CID 164955606
N-(4-dibenzofuran-1-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-ylaniline
CID 168767116
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155187031
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-4-amine
CID 164955400
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 155624044
N,N-bis(4-dibenzofuran-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)aniline
CID 164835607
N-(3-dibenzofuran-1-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-1-ylaniline
CID 168766720
N-(4-dibenzofuran-1-ylphenyl)-6-phenyl-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 167396723
2-[3-(N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]-N,N-diphenylaniline
CID 167086686
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168790748
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501986

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline (CID 168789320) is N-(4-dibenzofuran-1-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline is c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2cccc(-c3cccc4c3sc3ccccc34)c2)cc1.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
The InChIKey is DNZXQTMYDOQSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NOS/c1-3-17-40(18-4-1)46-23-7-8-25-51(46)58-47(41-19-5-2-6-20-41)27-15-31-54(58)61(44-37-35-42(36-38-44)48-28-16-33-56-59(48)53-26-9-11-32-55(53)62-56)45-22-13-21-43(39-45)49-29-14-30-52-50-24-10-12-34-57(50)63-60(49)52/h1-39H.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
N-(4-dibenzofuran-1-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline has a molecular weight of 822.05 g/mol, XLogP of 17.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline is sourced from PubChem (CID 168789320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).