N-(4-dibenzofuran-2-ylphenyl)-6-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine

C58H37NOS — CID 167396586

IUPACN-(4-dibenzofuran-2-ylphenyl)-6-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4cccc5c4sc4c(-c6ccccc6)cccc45)cc3)c3ccccc23)cc1
InChIInChI=1S/C58H37NOS/c1-3-13-39(14-4-1)45-34-35-46(49-18-8-7-17-48(45)49)41-27-32-44(33-28-41)59(43-30-25-38(26-31-43)42-29-36-56-53(37-42)50-19-9-10-24-55(50)60-56)54-23-12-22-52-51-21-11-20-47(57(51)61-58(52)54)40-15-5-2-6-16-40/h1-37H
InChIKeyUEKKIJDNKYZNGK-UHFFFAOYSA-N
MW796.01 g/mol
LogP17.24
Rot. Bonds7

About N-(4-dibenzofuran-2-ylphenyl)-6-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine

N-(4-dibenzofuran-2-ylphenyl)-6-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine (PubChem CID 167396586) has the molecular formula C58H37NOS and a molecular weight of 796.01 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-6-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-6-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
PubChem CID167396586
Molecular FormulaC58H37NOS
Molecular Weight796.01 g/mol
Exact Mass795.26
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-6-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4cccc5c4sc4c(-c6ccccc6)cccc45)cc3)c3ccccc23)cc1
InChIInChI=1S/C58H37NOS/c1-3-13-39(14-4-1)45-34-35-46(49-18-8-7-17-48(45)49)41-27-32-44(33-28-41)59(43-30-25-38(26-31-43)42-29-36-56-53(37-42)50-19-9-10-24-55(50)60-56)54-23-12-22-52-51-21-11-20-47(57(51)61-58(52)54)40-15-5-2-6-16-40/h1-37H
InChIKeyUEKKIJDNKYZNGK-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-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397214
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 167397285
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167397717
N-(4-dibenzothiophen-3-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine
CID 167396642
N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-amine
CID 146494387
N-(4-dibenzofuran-1-ylphenyl)-6-phenyl-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 167396723
N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine
CID 167397858
N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157368464
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397414
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172502866
8-carbazol-9-yl-N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 165374694
N-(6-phenyldibenzothiophen-4-yl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 167397269

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-6-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-6-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine (CID 167396586) is N-(4-dibenzofuran-2-ylphenyl)-6-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-6-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-6-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4cccc5c4sc4c(-c6ccccc6)cccc45)cc3)c3ccccc23)cc1.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-6-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine?
The InChIKey is UEKKIJDNKYZNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NOS/c1-3-13-39(14-4-1)45-34-35-46(49-18-8-7-17-48(45)49)41-27-32-44(33-28-41)59(43-30-25-38(26-31-43)42-29-36-56-53(37-42)50-19-9-10-24-55(50)60-56)54-23-12-22-52-51-21-11-20-47(57(51)61-58(52)54)40-15-5-2-6-16-40/h1-37H.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-6-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine?
N-(4-dibenzofuran-2-ylphenyl)-6-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-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-dibenzofuran-2-ylphenyl)-6-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 167396586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).