N-(2-dibenzofuran-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-1-amine

C46H29NO2 — CID 155186614

IUPACN-(2-dibenzofuran-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-1-amine
SMILESc1ccc(N(c2ccccc2-c2cccc3c2oc2ccccc23)c2cccc3oc4ccccc4c23)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C46H29NO2/c1-2-14-31-29-32(28-27-30(31)13-1)33-15-3-7-21-39(33)47(41-23-12-26-44-45(41)38-18-6-10-25-43(38)48-44)40-22-8-4-16-34(40)36-19-11-20-37-35-17-5-9-24-42(35)49-46(36)37/h1-29H
InChIKeyRVTNMXYETRPETD-UHFFFAOYSA-N
MW627.74 g/mol
LogP13.44
Rot. Bonds5

About N-(2-dibenzofuran-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-1-amine

N-(2-dibenzofuran-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-1-amine (PubChem CID 155186614) has the molecular formula C46H29NO2 and a molecular weight of 627.74 g/mol. Its IUPAC name is N-(2-dibenzofuran-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-1-amine
PubChem CID155186614
Molecular FormulaC46H29NO2
Molecular Weight627.74 g/mol
Exact Mass627.22
IUPAC NameN-(2-dibenzofuran-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-1-amine
SMILESc1ccc(N(c2ccccc2-c2cccc3c2oc2ccccc23)c2cccc3oc4ccccc4c23)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C46H29NO2/c1-2-14-31-29-32(28-27-30(31)13-1)33-15-3-7-21-39(33)47(41-23-12-26-44-45(41)38-18-6-10-25-43(38)48-44)40-22-8-4-16-34(40)36-19-11-20-37-35-17-5-9-24-42(35)49-46(36)37/h1-29H
InChIKeyRVTNMXYETRPETD-UHFFFAOYSA-N
XLogP13.44
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.74
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186908
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186611
2-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325155
N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374329
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186610
N-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810491
2-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325117
N-naphthalen-1-yl-5-naphthalen-2-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423509
N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-1-yl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374411
N-(2-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167324872
N-(2-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 155186869
N-(4-dibenzofuran-4-ylphenyl)-N-(2-naphthalen-1-ylphenyl)-2-(4-naphthalen-2-ylphenyl)aniline
CID 155374481

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-1-amine (CID 155186614) is N-(2-dibenzofuran-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-(2-dibenzofuran-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-(2-dibenzofuran-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-1-amine is c1ccc(N(c2ccccc2-c2cccc3c2oc2ccccc23)c2cccc3oc4ccccc4c23)c(-c2ccc3ccccc3c2)c1.
What is the InChIKey of N-(2-dibenzofuran-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-1-amine?
The InChIKey is RVTNMXYETRPETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO2/c1-2-14-31-29-32(28-27-30(31)13-1)33-15-3-7-21-39(33)47(41-23-12-26-44-45(41)38-18-6-10-25-43(38)48-44)40-22-8-4-16-34(40)36-19-11-20-37-35-17-5-9-24-42(35)49-46(36)37/h1-29H.
What are the key properties of N-(2-dibenzofuran-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-1-amine?
N-(2-dibenzofuran-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-1-amine has a molecular weight of 627.74 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 155186614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).