N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-(4-dibenzothiophen-3-ylphenyl)aniline

C60H37NOS2 — CID 164835604

IUPACN-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-(4-dibenzothiophen-3-ylphenyl)aniline
SMILESc1ccc2c(c1)oc1cccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc7c(c6)sc6ccccc67)cc5)cc4)c4ccc(-c5cccc6sc7ccccc7c56)cc4)cc3)c12
InChIInChI=1S/C60H37NOS2/c1-4-14-53-51(10-1)59-47(12-7-15-54(59)62-53)41-25-32-45(33-26-41)61(46-34-27-42(28-35-46)48-13-8-18-57-60(48)52-11-3-6-17-56(52)63-57)44-30-23-39(24-31-44)38-19-21-40(22-20-38)43-29-36-50-49-9-2-5-16-55(49)64-58(50)37-43/h1-37H
InChIKeyKNJBGQQHPRSSLQ-UHFFFAOYSA-N
MW852.10 g/mol
LogP18.46
Rot. Bonds7

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

N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-(4-dibenzothiophen-3-ylphenyl)aniline (PubChem CID 164835604) has the molecular formula C60H37NOS2 and a molecular weight of 852.10 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-(4-dibenzothiophen-3-ylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-(4-dibenzothiophen-3-ylphenyl)aniline
PubChem CID164835604
Molecular FormulaC60H37NOS2
Molecular Weight852.10 g/mol
Exact Mass851.23
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-(4-dibenzothiophen-3-ylphenyl)aniline
SMILESc1ccc2c(c1)oc1cccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc7c(c6)sc6ccccc67)cc5)cc4)c4ccc(-c5cccc6sc7ccccc7c56)cc4)cc3)c12
InChIInChI=1S/C60H37NOS2/c1-4-14-53-51(10-1)59-47(12-7-15-54(59)62-53)41-25-32-45(33-26-41)61(46-34-27-42(28-35-46)48-13-8-18-57-60(48)52-11-3-6-17-56(52)63-57)44-30-23-39(24-31-44)38-19-21-40(22-20-38)43-29-36-50-49-9-2-5-16-55(49)64-58(50)37-43/h1-37H
InChIKeyKNJBGQQHPRSSLQ-UHFFFAOYSA-N
XLogP18.46
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.10
LogP ≤ 518.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzofuran-1-ylphenyl)-4-(3-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline
CID 164835622
4-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline
CID 164835628
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159820333
N-(3-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
CID 165073445
4-(6-dibenzofuran-3-ylnaphthalen-2-yl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline
CID 164835642
N-(3-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine
CID 165004236
N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline
CID 164835646
N-(4-dibenzothiophen-3-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172502200
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
CID 165073444
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186790
N,N-bis(4-dibenzofuran-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)aniline
CID 164835607
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine
CID 164949044

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-(4-dibenzothiophen-3-ylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-(4-dibenzothiophen-3-ylphenyl)aniline (CID 164835604) is N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-(4-dibenzothiophen-3-ylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-(4-dibenzothiophen-3-ylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-(4-dibenzothiophen-3-ylphenyl)aniline is c1ccc2c(c1)oc1cccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc7c(c6)sc6ccccc67)cc5)cc4)c4ccc(-c5cccc6sc7ccccc7c56)cc4)cc3)c12.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-(4-dibenzothiophen-3-ylphenyl)aniline?
The InChIKey is KNJBGQQHPRSSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37NOS2/c1-4-14-53-51(10-1)59-47(12-7-15-54(59)62-53)41-25-32-45(33-26-41)61(46-34-27-42(28-35-46)48-13-8-18-57-60(48)52-11-3-6-17-56(52)63-57)44-30-23-39(24-31-44)38-19-21-40(22-20-38)43-29-36-50-49-9-2-5-16-55(49)64-58(50)37-43/h1-37H.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-(4-dibenzothiophen-3-ylphenyl)aniline?
N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-(4-dibenzothiophen-3-ylphenyl)aniline has a molecular weight of 852.10 g/mol, XLogP of 18.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-(4-dibenzothiophen-3-ylphenyl)aniline is sourced from PubChem (CID 164835604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).