N,3-di(dibenzofuran-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine

C52H31NO3 — CID 171435380

IUPACN,3-di(dibenzofuran-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
SMILESc1ccc2cc(-c3ccc(N(c4cccc5c4oc4ccccc45)c4c(-c5cccc6c5oc5ccccc56)ccc5c4oc4ccccc45)cc3)ccc2c1
InChIInChI=1S/C52H31NO3/c1-2-12-34-31-35(24-23-32(34)11-1)33-25-27-36(28-26-33)53(45-19-10-18-42-38-14-4-7-21-47(38)55-51(42)45)49-40(29-30-44-39-15-5-8-22-48(39)56-52(44)49)43-17-9-16-41-37-13-3-6-20-46(37)54-50(41)43/h1-31H
InChIKeyDLECNIYWPLKFRL-UHFFFAOYSA-N
MW717.82 g/mol
LogP15.34
Rot. Bonds5

About N,3-di(dibenzofuran-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine

N,3-di(dibenzofuran-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine (PubChem CID 171435380) has the molecular formula C52H31NO3 and a molecular weight of 717.82 g/mol. Its IUPAC name is N,3-di(dibenzofuran-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN,3-di(dibenzofuran-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
PubChem CID171435380
Molecular FormulaC52H31NO3
Molecular Weight717.82 g/mol
Exact Mass717.23
IUPAC NameN,3-di(dibenzofuran-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
SMILESc1ccc2cc(-c3ccc(N(c4cccc5c4oc4ccccc45)c4c(-c5cccc6c5oc5ccccc56)ccc5c4oc4ccccc45)cc3)ccc2c1
InChIInChI=1S/C52H31NO3/c1-2-12-34-31-35(24-23-32(34)11-1)33-25-27-36(28-26-33)53(45-19-10-18-42-38-14-4-7-21-47(38)55-51(42)45)49-40(29-30-44-39-15-5-8-22-48(39)56-52(44)49)43-17-9-16-41-37-13-3-6-20-46(37)54-50(41)43/h1-31H
InChIKeyDLECNIYWPLKFRL-UHFFFAOYSA-N
XLogP15.34
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.82
LogP ≤ 515.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-3-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 171434796
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396923
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566280
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566139
N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374329
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-phenyl-3-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 177080790
N-(2-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167324872
N-(3-naphthalen-2-ylphenyl)-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine
CID 167324321
N-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine
CID 164975918
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186611
N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396874
N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine
CID 168809708

Frequently Asked Questions

What is the IUPAC name of N,3-di(dibenzofuran-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine?
The IUPAC name of N,3-di(dibenzofuran-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine (CID 171435380) is N,3-di(dibenzofuran-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N,3-di(dibenzofuran-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N,3-di(dibenzofuran-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine is c1ccc2cc(-c3ccc(N(c4cccc5c4oc4ccccc45)c4c(-c5cccc6c5oc5ccccc56)ccc5c4oc4ccccc45)cc3)ccc2c1.
What is the InChIKey of N,3-di(dibenzofuran-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine?
The InChIKey is DLECNIYWPLKFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31NO3/c1-2-12-34-31-35(24-23-32(34)11-1)33-25-27-36(28-26-33)53(45-19-10-18-42-38-14-4-7-21-47(38)55-51(42)45)49-40(29-30-44-39-15-5-8-22-48(39)56-52(44)49)43-17-9-16-41-37-13-3-6-20-46(37)54-50(41)43/h1-31H.
What are the key properties of N,3-di(dibenzofuran-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine?
N,3-di(dibenzofuran-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine has a molecular weight of 717.82 g/mol, XLogP of 15.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-di(dibenzofuran-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 171435380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).