N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]naphthalen-2-amine

C58H37NOS — CID 121296621

IUPACN-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]naphthalen-2-amine
SMILESc1ccc(-c2cccc3c2oc2c(-c4cccc(-c5ccc(N(c6ccc(-c7cccc8c7sc7ccccc78)cc6)c6ccc7ccccc7c6)cc5)c4)cccc23)cc1
InChIInChI=1S/C58H37NOS/c1-2-13-40(14-3-1)48-19-9-22-52-53-23-10-20-49(57(53)60-56(48)52)44-17-8-16-42(36-44)39-26-31-45(32-27-39)59(47-35-28-38-12-4-5-15-43(38)37-47)46-33-29-41(30-34-46)50-21-11-24-54-51-18-6-7-25-55(51)61-58(50)54/h1-37H
InChIKeyYFMGHKJTJKTNML-UHFFFAOYSA-N
MW796.01 g/mol
LogP17.24
Rot. Bonds7

About N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]naphthalen-2-amine

N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]naphthalen-2-amine (PubChem CID 121296621) has the molecular formula C58H37NOS and a molecular weight of 796.01 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]naphthalen-2-amine
PubChem CID121296621
Molecular FormulaC58H37NOS
Molecular Weight796.01 g/mol
Exact Mass795.26
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]naphthalen-2-amine
SMILESc1ccc(-c2cccc3c2oc2c(-c4cccc(-c5ccc(N(c6ccc(-c7cccc8c7sc7ccccc78)cc6)c6ccc7ccccc7c6)cc5)c4)cccc23)cc1
InChIInChI=1S/C58H37NOS/c1-2-13-40(14-3-1)48-19-9-22-52-53-23-10-20-49(57(53)60-56(48)52)44-17-8-16-42(36-44)39-26-31-45(32-27-39)59(47-35-28-38-12-4-5-15-43(38)37-47)46-33-29-41(30-34-46)50-21-11-24-54-51-18-6-7-25-55(51)61-58(50)54/h1-37H
InChIKeyYFMGHKJTJKTNML-UHFFFAOYSA-N
XLogP17.24
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.01
LogP ≤ 517.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline
CID 70808692
N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]aniline
CID 159600768
5-N-(4-dibenzothiophen-4-ylphenyl)-5-N-naphthalen-2-yl-1-N,3-N-bis(3-phenylphenyl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118604879
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 121261293
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261291
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118405906
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 161255866
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159541648
methane;4-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-phenyl-N-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 159961913
N-(7-dibenzothiophen-4-ylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396362
N-naphthalen-2-yl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine
CID 167144638
N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-(3-phenylphenyl)aniline
CID 118616110

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]naphthalen-2-amine?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]naphthalen-2-amine (CID 121296621) is N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]naphthalen-2-amine.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]naphthalen-2-amine?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]naphthalen-2-amine is c1ccc(-c2cccc3c2oc2c(-c4cccc(-c5ccc(N(c6ccc(-c7cccc8c7sc7ccccc78)cc6)c6ccc7ccccc7c6)cc5)c4)cccc23)cc1.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]naphthalen-2-amine?
The InChIKey is YFMGHKJTJKTNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NOS/c1-2-13-40(14-3-1)48-19-9-22-52-53-23-10-20-49(57(53)60-56(48)52)44-17-8-16-42(36-44)39-26-31-45(32-27-39)59(47-35-28-38-12-4-5-15-43(38)37-47)46-33-29-41(30-34-46)50-21-11-24-54-51-18-6-7-25-55(51)61-58(50)54/h1-37H.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]naphthalen-2-amine?
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]naphthalen-2-amine has a molecular weight of 796.01 g/mol, XLogP of 17.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 121296621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).