N-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-2-(2-naphthalen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)aniline

C56H39NO — CID 170092461

IUPACN-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-2-(2-naphthalen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)aniline
SMILESC1=Cc2oc3c(-c4ccc(N(c5cccc(-c6ccc7ccccc7c6)c5)c5ccccc5-c5ccccc5-c5ccc6ccccc6c5)cc4)cccc3c2CC1
InChIInChI=1S/C56H39NO/c1-3-15-41-35-44(29-27-38(41)13-1)43-17-11-18-47(37-43)57(46-33-31-40(32-34-46)49-23-12-24-53-52-22-8-10-26-55(52)58-56(49)53)54-25-9-7-21-51(54)50-20-6-5-19-48(50)45-30-28-39-14-2-4-16-42(39)36-45/h1-7,9-21,23-37H,8,22H2
InChIKeyLOQKKZZYILQGNZ-UHFFFAOYSA-N
MW741.93 g/mol
LogP15.84
Rot. Bonds7

About N-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-2-(2-naphthalen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)aniline

N-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-2-(2-naphthalen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)aniline (PubChem CID 170092461) has the molecular formula C56H39NO and a molecular weight of 741.93 g/mol. Its IUPAC name is N-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-2-(2-naphthalen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-2-(2-naphthalen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)aniline
PubChem CID170092461
Molecular FormulaC56H39NO
Molecular Weight741.93 g/mol
Exact Mass741.30
IUPAC NameN-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-2-(2-naphthalen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)aniline
SMILESC1=Cc2oc3c(-c4ccc(N(c5cccc(-c6ccc7ccccc7c6)c5)c5ccccc5-c5ccccc5-c5ccc6ccccc6c5)cc4)cccc3c2CC1
InChIInChI=1S/C56H39NO/c1-3-15-41-35-44(29-27-38(41)13-1)43-17-11-18-47(37-43)57(46-33-31-40(32-34-46)49-23-12-24-53-52-22-8-10-26-55(52)58-56(49)53)54-25-9-7-21-51(54)50-20-6-5-19-48(50)45-30-28-39-14-2-4-16-42(39)36-45/h1-7,9-21,23-37H,8,22H2
InChIKeyLOQKKZZYILQGNZ-UHFFFAOYSA-N
XLogP15.84
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.93
LogP ≤ 515.84
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-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502739
N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501519
2-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326067
N-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-3-yl)-5-naphthalen-2-ylphenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 170281925
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[4-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501754
2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326166
N-(3-dibenzofuran-4-ylphenyl)-2-[2-(2,5-diphenylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline
CID 172501796
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172501953
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186610
N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501217
4-naphthalen-2-yl-N-[2-(2-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069399
N-(3-naphthalen-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502158

Frequently Asked Questions

What is the IUPAC name of N-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-2-(2-naphthalen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)aniline?
The IUPAC name of N-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-2-(2-naphthalen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)aniline (CID 170092461) is N-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-2-(2-naphthalen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)aniline.
What is the SMILES notation for N-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-2-(2-naphthalen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)aniline?
The canonical SMILES for N-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-2-(2-naphthalen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)aniline is C1=Cc2oc3c(-c4ccc(N(c5cccc(-c6ccc7ccccc7c6)c5)c5ccccc5-c5ccccc5-c5ccc6ccccc6c5)cc4)cccc3c2CC1.
What is the InChIKey of N-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-2-(2-naphthalen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)aniline?
The InChIKey is LOQKKZZYILQGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39NO/c1-3-15-41-35-44(29-27-38(41)13-1)43-17-11-18-47(37-43)57(46-33-31-40(32-34-46)49-23-12-24-53-52-22-8-10-26-55(52)58-56(49)53)54-25-9-7-21-51(54)50-20-6-5-19-48(50)45-30-28-39-14-2-4-16-42(39)36-45/h1-7,9-21,23-37H,8,22H2.
What are the key properties of N-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-2-(2-naphthalen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)aniline?
N-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-2-(2-naphthalen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)aniline has a molecular weight of 741.93 g/mol, XLogP of 15.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-2-(2-naphthalen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 170092461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).