N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline

C58H37NOS — CID 167325453

IUPACN-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc3ccccc3c2)c(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccccc3-c3ccc4c(c3)sc3ccccc34)cc2)c1
InChIInChI=1S/C58H37NOS/c1-2-13-41-36-42(25-24-38(41)12-1)47-15-4-3-14-46(47)39-26-31-44(32-27-39)59(45-33-28-40(29-34-45)49-19-11-20-53-50-17-6-9-22-55(50)60-58(49)53)54-21-8-5-16-48(54)43-30-35-52-51-18-7-10-23-56(51)61-57(52)37-43/h1-37H
InChIKeyNHDMQPQEHNNNAK-UHFFFAOYSA-N
MW796.01 g/mol
LogP17.24
Rot. Bonds7

About N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline

N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline (PubChem CID 167325453) has the molecular formula C58H37NOS and a molecular weight of 796.01 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
PubChem CID167325453
Molecular FormulaC58H37NOS
Molecular Weight796.01 g/mol
Exact Mass795.26
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc3ccccc3c2)c(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccccc3-c3ccc4c(c3)sc3ccccc34)cc2)c1
InChIInChI=1S/C58H37NOS/c1-2-13-41-36-42(25-24-38(41)12-1)47-15-4-3-14-46(47)39-26-31-44(32-27-39)59(45-33-28-40(29-34-45)49-19-11-20-53-50-17-6-9-22-55(50)60-58(49)53)54-21-8-5-16-48(54)43-30-35-52-51-18-7-10-23-56(51)61-57(52)37-43/h1-37H
InChIKeyNHDMQPQEHNNNAK-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)-2-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167325488
N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-ylaniline
CID 168766912
N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374329
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-3-naphthalen-2-ylaniline
CID 167324054
N-(4-dibenzothiophen-3-ylphenyl)-N-(2-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397552
N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 167325168
2-dibenzofuran-2-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325907
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 172502531
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-2-yldibenzofuran-3-amine
CID 163485828
N-(4-dibenzofuran-3-ylphenyl)-2-dibenzothiophen-3-yl-N-(3-naphthalen-2-ylphenyl)aniline
CID 167326309
N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-1-yl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374411
2-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325155

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline (CID 167325453) is N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline is c1ccc(-c2ccc3ccccc3c2)c(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccccc3-c3ccc4c(c3)sc3ccccc34)cc2)c1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline?
The InChIKey is NHDMQPQEHNNNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NOS/c1-2-13-41-36-42(25-24-38(41)12-1)47-15-4-3-14-46(47)39-26-31-44(32-27-39)59(45-33-28-40(29-34-45)49-19-11-20-53-50-17-6-9-22-55(50)60-58(49)53)54-21-8-5-16-48(54)43-30-35-52-51-18-7-10-23-56(51)61-57(52)37-43/h1-37H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline?
N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-[4-(2-naphthalen-2-ylphenyl)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)-2-dibenzothiophen-3-yl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline is sourced from PubChem (CID 167325453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).