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

C58H37NO2 — CID 166566331

IUPACN-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine
SMILESc1cc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc(-c2cccc(-c3ccc4ccccc4c3)c2)c1
InChIInChI=1S/C58H37NO2/c1-2-10-41-34-46(20-19-38(41)9-1)45-14-8-13-44(35-45)43-12-7-11-42(33-43)39-21-26-48(27-22-39)59(50-30-31-53-51-15-3-5-17-55(51)61-58(53)37-50)49-28-23-40(24-29-49)47-25-32-57-54(36-47)52-16-4-6-18-56(52)60-57/h1-37H
InChIKeyUZDUIVQVNBBWOD-UHFFFAOYSA-N
MW779.94 g/mol
LogP16.78
Rot. Bonds7

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

N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine (PubChem CID 166566331) has the molecular formula C58H37NO2 and a molecular weight of 779.94 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine
PubChem CID166566331
Molecular FormulaC58H37NO2
Molecular Weight779.94 g/mol
Exact Mass779.28
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine
SMILESc1cc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc(-c2cccc(-c3ccc4ccccc4c3)c2)c1
InChIInChI=1S/C58H37NO2/c1-2-10-41-34-46(20-19-38(41)9-1)45-14-8-13-44(35-45)43-12-7-11-42(33-43)39-21-26-48(27-22-39)59(50-30-31-53-51-15-3-5-17-55(51)61-58(53)37-50)49-28-23-40(24-29-49)47-25-32-57-54(36-47)52-16-4-6-18-56(52)60-57/h1-37H
InChIKeyUZDUIVQVNBBWOD-UHFFFAOYSA-N
XLogP16.78
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.94
LogP ≤ 516.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-3-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 166565962
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
CID 118405802
3-dibenzofuran-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170535051
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-2-N,2-N-diphenyldibenzofuran-2,8-diamine
CID 146576029
N-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenyldibenzofuran-3-amine
CID 174256551
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 121325434
N-(4-dibenzofuran-2-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166566167
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324392
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 167324119
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 176616741
N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline
CID 167323705

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine (CID 166566331) is N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine is c1cc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc(-c2cccc(-c3ccc4ccccc4c3)c2)c1.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine?
The InChIKey is UZDUIVQVNBBWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO2/c1-2-10-41-34-46(20-19-38(41)9-1)45-14-8-13-44(35-45)43-12-7-11-42(33-43)39-21-26-48(27-22-39)59(50-30-31-53-51-15-3-5-17-55(51)61-58(53)37-50)49-28-23-40(24-29-49)47-25-32-57-54(36-47)52-16-4-6-18-56(52)60-57/h1-37H.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine?
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine has a molecular weight of 779.94 g/mol, XLogP of 16.78, 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)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 166566331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).