N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(6-phenylnaphtho[1,2-b][1]benzothiol-5-yl)phenyl]aniline

C58H37NOS — CID 169280461

IUPACN-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(6-phenylnaphtho[1,2-b][1]benzothiol-5-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4c(-c5ccccc5)c5c6ccccc6sc5c5ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C58H37NOS/c1-3-14-38(15-4-1)39-26-32-43(33-27-39)59(44-34-28-40(29-35-44)46-22-13-23-49-47-18-9-11-24-52(47)60-57(46)49)45-36-30-42(31-37-45)54-48-19-7-8-20-50(48)58-56(51-21-10-12-25-53(51)61-58)55(54)41-16-5-2-6-17-41/h1-37H
InChIKeyBEGVWDXHSUWODC-UHFFFAOYSA-N
MW796.01 g/mol
LogP17.24
Rot. Bonds7

About N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(6-phenylnaphtho[1,2-b][1]benzothiol-5-yl)phenyl]aniline

N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(6-phenylnaphtho[1,2-b][1]benzothiol-5-yl)phenyl]aniline (PubChem CID 169280461) has the molecular formula C58H37NOS and a molecular weight of 796.01 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(6-phenylnaphtho[1,2-b][1]benzothiol-5-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(6-phenylnaphtho[1,2-b][1]benzothiol-5-yl)phenyl]aniline
PubChem CID169280461
Molecular FormulaC58H37NOS
Molecular Weight796.01 g/mol
Exact Mass795.26
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(6-phenylnaphtho[1,2-b][1]benzothiol-5-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4c(-c5ccccc5)c5c6ccccc6sc5c5ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C58H37NOS/c1-3-14-38(15-4-1)39-26-32-43(33-27-39)59(44-34-28-40(29-35-44)46-22-13-23-49-47-18-9-11-24-52(47)60-57(46)49)45-36-30-42(31-37-45)54-48-19-7-8-20-50(48)58-56(51-21-10-12-25-53(51)61-58)55(54)41-16-5-2-6-17-41/h1-37H
InChIKeyBEGVWDXHSUWODC-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

N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-yl]phenyl]fluoren-2-amine
CID 169280264
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-phenylaniline
CID 154961714
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
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)-N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-ethenylphenyl)phenyl]aniline
CID 58568929
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90351045
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(9,10-diphenylphenanthren-2-yl)aniline
CID 169064163
4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118406191
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(2-phenyldibenzofuran-4-yl)phenyl]aniline
CID 140919340
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
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501986
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 167553634

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(6-phenylnaphtho[1,2-b][1]benzothiol-5-yl)phenyl]aniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(6-phenylnaphtho[1,2-b][1]benzothiol-5-yl)phenyl]aniline (CID 169280461) is N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(6-phenylnaphtho[1,2-b][1]benzothiol-5-yl)phenyl]aniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(6-phenylnaphtho[1,2-b][1]benzothiol-5-yl)phenyl]aniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(6-phenylnaphtho[1,2-b][1]benzothiol-5-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4c(-c5ccccc5)c5c6ccccc6sc5c5ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(6-phenylnaphtho[1,2-b][1]benzothiol-5-yl)phenyl]aniline?
The InChIKey is BEGVWDXHSUWODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NOS/c1-3-14-38(15-4-1)39-26-32-43(33-27-39)59(44-34-28-40(29-35-44)46-22-13-23-49-47-18-9-11-24-52(47)60-57(46)49)45-36-30-42(31-37-45)54-48-19-7-8-20-50(48)58-56(51-21-10-12-25-53(51)61-58)55(54)41-16-5-2-6-17-41/h1-37H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(6-phenylnaphtho[1,2-b][1]benzothiol-5-yl)phenyl]aniline?
N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(6-phenylnaphtho[1,2-b][1]benzothiol-5-yl)phenyl]aniline 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-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(6-phenylnaphtho[1,2-b][1]benzothiol-5-yl)phenyl]aniline is sourced from PubChem (CID 169280461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).