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

C60H39NOS — CID 168788545

IUPACN-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C60H39NOS/c1-3-14-42(15-4-1)48-18-7-8-21-52(48)60-49(43-16-5-2-6-17-43)22-13-23-55(60)61(46-32-26-40(27-33-46)44-30-36-57-53(38-44)50-19-9-11-24-56(50)62-57)47-34-28-41(29-35-47)45-31-37-59-54(39-45)51-20-10-12-25-58(51)63-59/h1-39H
InChIKeyKSISSQIAYSKPBO-UHFFFAOYSA-N
MW822.05 g/mol
LogP17.76
Rot. Bonds8

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

N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline (PubChem CID 168788545) has the molecular formula C60H39NOS and a molecular weight of 822.05 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
PubChem CID168788545
Molecular FormulaC60H39NOS
Molecular Weight822.05 g/mol
Exact Mass821.28
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C60H39NOS/c1-3-14-42(15-4-1)48-18-7-8-21-52(48)60-49(43-16-5-2-6-17-43)22-13-23-55(60)61(46-32-26-40(27-33-46)44-30-36-57-53(38-44)50-19-9-11-24-56(50)62-57)47-34-28-41(29-35-47)45-31-37-59-54(39-45)51-20-10-12-25-58(51)63-59/h1-39H
InChIKeyKSISSQIAYSKPBO-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-[2-dibenzothiophen-2-yl-3-(4-phenylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 170666297
N-(4-dibenzofuran-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168789235
N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168790075
N-(4-dibenzothiophen-3-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168790885
N-[4-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 121383334
N-(2-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 170665863
4-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;3-dibenzothiophen-2-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(3-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 158126974
N-[4-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 121383327
3-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170666001
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-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyldibenzothiophen-3-amine
CID 167293286
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172502866

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline (CID 168788545) is N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline is c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
The InChIKey is KSISSQIAYSKPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NOS/c1-3-14-42(15-4-1)48-18-7-8-21-52(48)60-49(43-16-5-2-6-17-43)22-13-23-55(60)61(46-32-26-40(27-33-46)44-30-36-57-53(38-44)50-19-9-11-24-56(50)62-57)47-34-28-41(29-35-47)45-31-37-59-54(39-45)51-20-10-12-25-58(51)63-59/h1-39H.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-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-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline is sourced from PubChem (CID 168788545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).