N-[3-[2-[3-(2-dibenzofuran-2-yl-1-naphthalen-2-ylethyl)phenyl]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-2-amine

C64H43NO2 — CID 134224643

IUPACN-[3-[2-[3-(2-dibenzofuran-2-yl-1-naphthalen-2-ylethyl)phenyl]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-2-amine
SMILESc1cc(-c2ccccc2-c2cccc(N(c3ccc4ccccc4c3)c3ccc4oc5ccccc5c4c3)c2)cc(C(Cc2ccc3oc4ccccc4c3c2)c2ccc3ccccc3c2)c1
InChIInChI=1S/C64H43NO2/c1-3-15-45-37-50(29-28-43(45)13-1)58(35-42-27-33-63-59(36-42)56-23-7-9-25-61(56)66-63)48-18-11-17-47(38-48)54-21-5-6-22-55(54)49-19-12-20-51(40-49)65(52-31-30-44-14-2-4-16-46(44)39-52)53-32-34-64-60(41-53)57-24-8-10-26-62(57)67-64/h1-34,36-41,58H,35H2
InChIKeyXBBMWWWEIUPDNR-UHFFFAOYSA-N
MW858.05 g/mol
LogP17.97
Rot. Bonds9

About N-[3-[2-[3-(2-dibenzofuran-2-yl-1-naphthalen-2-ylethyl)phenyl]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-2-amine

N-[3-[2-[3-(2-dibenzofuran-2-yl-1-naphthalen-2-ylethyl)phenyl]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-2-amine (PubChem CID 134224643) has the molecular formula C64H43NO2 and a molecular weight of 858.05 g/mol. Its IUPAC name is N-[3-[2-[3-(2-dibenzofuran-2-yl-1-naphthalen-2-ylethyl)phenyl]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-2-amine.

Molecular Properties

Compound NameN-[3-[2-[3-(2-dibenzofuran-2-yl-1-naphthalen-2-ylethyl)phenyl]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-2-amine
PubChem CID134224643
Molecular FormulaC64H43NO2
Molecular Weight858.05 g/mol
Exact Mass857.33
IUPAC NameN-[3-[2-[3-(2-dibenzofuran-2-yl-1-naphthalen-2-ylethyl)phenyl]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-2-amine
SMILESc1cc(-c2ccccc2-c2cccc(N(c3ccc4ccccc4c3)c3ccc4oc5ccccc5c4c3)c2)cc(C(Cc2ccc3oc4ccccc4c3c2)c2ccc3ccccc3c2)c1
InChIInChI=1S/C64H43NO2/c1-3-15-45-37-50(29-28-43(45)13-1)58(35-42-27-33-63-59(36-42)56-23-7-9-25-61(56)66-63)48-18-11-17-47(38-48)54-21-5-6-22-55(54)49-19-12-20-51(40-49)65(52-31-30-44-14-2-4-16-46(44)39-52)53-32-34-64-60(41-53)57-24-8-10-26-62(57)67-64/h1-34,36-41,58H,35H2
InChIKeyXBBMWWWEIUPDNR-UHFFFAOYSA-N
XLogP17.97
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.05
LogP ≤ 517.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[3-(2-dibenzofuran-2-yl-1-naphthalen-2-ylethyl)phenyl]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-2-amine?
The IUPAC name of N-[3-[2-[3-(2-dibenzofuran-2-yl-1-naphthalen-2-ylethyl)phenyl]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-2-amine (CID 134224643) is N-[3-[2-[3-(2-dibenzofuran-2-yl-1-naphthalen-2-ylethyl)phenyl]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-2-amine.
What is the SMILES notation for N-[3-[2-[3-(2-dibenzofuran-2-yl-1-naphthalen-2-ylethyl)phenyl]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-2-amine?
The canonical SMILES for N-[3-[2-[3-(2-dibenzofuran-2-yl-1-naphthalen-2-ylethyl)phenyl]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-2-amine is c1cc(-c2ccccc2-c2cccc(N(c3ccc4ccccc4c3)c3ccc4oc5ccccc5c4c3)c2)cc(C(Cc2ccc3oc4ccccc4c3c2)c2ccc3ccccc3c2)c1.
What is the InChIKey of N-[3-[2-[3-(2-dibenzofuran-2-yl-1-naphthalen-2-ylethyl)phenyl]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-2-amine?
The InChIKey is XBBMWWWEIUPDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43NO2/c1-3-15-45-37-50(29-28-43(45)13-1)58(35-42-27-33-63-59(36-42)56-23-7-9-25-61(56)66-63)48-18-11-17-47(38-48)54-21-5-6-22-55(54)49-19-12-20-51(40-49)65(52-31-30-44-14-2-4-16-46(44)39-52)53-32-34-64-60(41-53)57-24-8-10-26-62(57)67-64/h1-34,36-41,58H,35H2.
What are the key properties of N-[3-[2-[3-(2-dibenzofuran-2-yl-1-naphthalen-2-ylethyl)phenyl]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-2-amine?
N-[3-[2-[3-(2-dibenzofuran-2-yl-1-naphthalen-2-ylethyl)phenyl]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-2-amine has a molecular weight of 858.05 g/mol, XLogP of 17.97, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[3-(2-dibenzofuran-2-yl-1-naphthalen-2-ylethyl)phenyl]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-2-amine is sourced from PubChem (CID 134224643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).