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

C64H43NO — CID 172502739

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccccc3-c3ccccc3-c3ccccc3N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc(-c4ccc5ccccc5c4)c3)cc2)cc1
InChIInChI=1S/C64H43NO/c1-2-16-44(17-3-1)46-32-35-47(36-33-46)54-22-6-7-23-56(54)57-24-8-9-25-58(57)59-26-10-12-30-62(59)65(53-21-14-20-50(43-53)51-37-34-45-18-4-5-19-49(45)42-51)52-40-38-48(39-41-52)55-28-15-29-61-60-27-11-13-31-63(60)66-64(55)61/h1-43H
InChIKeyCNUNNPSWKNCGAI-UHFFFAOYSA-N
MW842.05 g/mol
LogP18.21
Rot. Bonds9

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

N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline (PubChem CID 172502739) has the molecular formula C64H43NO and a molecular weight of 842.05 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
PubChem CID172502739
Molecular FormulaC64H43NO
Molecular Weight842.05 g/mol
Exact Mass841.33
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccccc3-c3ccccc3-c3ccccc3N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc(-c4ccc5ccccc5c4)c3)cc2)cc1
InChIInChI=1S/C64H43NO/c1-2-16-44(17-3-1)46-32-35-47(36-33-46)54-22-6-7-23-56(54)57-24-8-9-25-58(57)59-26-10-12-30-62(59)65(53-21-14-20-50(43-53)51-37-34-45-18-4-5-19-49(45)42-51)52-40-38-48(39-41-52)55-28-15-29-61-60-27-11-13-31-63(60)66-64(55)61/h1-43H
InChIKeyCNUNNPSWKNCGAI-UHFFFAOYSA-N
XLogP18.21
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.05
LogP ≤ 518.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[4-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501754
N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501519
N-(3-dibenzofuran-4-ylphenyl)-2-[2-(2,5-diphenylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline
CID 172501796
2-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326067
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186610
N-(4-dibenzofuran-4-ylphenyl)-2-[3-[6-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]naphthalen-2-yl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 155133205
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374301
N-(4-dibenzofuran-4-ylphenyl)-N,3-bis(4-naphthalen-2-ylphenyl)aniline
CID 155374297
N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168789772
N-(3-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501677
N-(3-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501323
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396923

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline (CID 172502739) is N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline is c1ccc(-c2ccc(-c3ccccc3-c3ccccc3-c3ccccc3N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc(-c4ccc5ccccc5c4)c3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline?
The InChIKey is CNUNNPSWKNCGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43NO/c1-2-16-44(17-3-1)46-32-35-47(36-33-46)54-22-6-7-23-56(54)57-24-8-9-25-58(57)59-26-10-12-30-62(59)65(53-21-14-20-50(43-53)51-37-34-45-18-4-5-19-49(45)42-51)52-40-38-48(39-41-52)55-28-15-29-61-60-27-11-13-31-63(60)66-64(55)61/h1-43H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline?
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline has a molecular weight of 842.05 g/mol, XLogP of 18.21, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 172502739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).