N-(2-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine

C46H29NO2 — CID 157465119

IUPACN-(2-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine
SMILESc1cc(-c2cccc3ccccc23)cc(N(c2ccccc2-c2ccc3oc4ccccc4c3c2)c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C46H29NO2/c1-2-16-34-30(12-1)13-10-20-35(34)31-14-9-15-33(28-31)47(42-23-11-21-39-37-18-4-8-25-44(37)49-46(39)42)41-22-6-3-17-36(41)32-26-27-45-40(29-32)38-19-5-7-24-43(38)48-45/h1-29H
InChIKeyBUJMLDPTXQGLFG-UHFFFAOYSA-N
MW627.74 g/mol
LogP13.44
Rot. Bonds5

About N-(2-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine

N-(2-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine (PubChem CID 157465119) has the molecular formula C46H29NO2 and a molecular weight of 627.74 g/mol. Its IUPAC name is N-(2-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine
PubChem CID157465119
Molecular FormulaC46H29NO2
Molecular Weight627.74 g/mol
Exact Mass627.22
IUPAC NameN-(2-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine
SMILESc1cc(-c2cccc3ccccc23)cc(N(c2ccccc2-c2ccc3oc4ccccc4c3c2)c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C46H29NO2/c1-2-16-34-30(12-1)13-10-20-35(34)31-14-9-15-33(28-31)47(42-23-11-21-39-37-18-4-8-25-44(37)49-46(39)42)41-22-6-3-17-36(41)32-26-27-45-40(29-32)38-19-5-7-24-43(38)48-45/h1-29H
InChIKeyBUJMLDPTXQGLFG-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-[2-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine
CID 167086574
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
CID 170535179
N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline
CID 174281108
2-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167323911
N-(2-dibenzofuran-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-2-amine
CID 167325738
N-[2-[3-[5-[10-[N-dibenzofuran-4-yl-2-(3-naphthalen-1-ylphenyl)anilino]triphenylen-2-yl]naphthalen-1-yl]phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 170014571
N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
CID 167325008
N-[3-[4-[4-(N-(3-naphthalen-1-ylphenyl)-3-phenylanilino)-3-naphtho[1,2-b][1]benzofuran-8-ylphenyl]phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-1-amine
CID 174272949
N-[3-[2-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 167087215
2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324733
N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 174273092
N-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)dibenzofuran-2-amine
CID 174280847

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-(2-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine (CID 157465119) is N-(2-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-(2-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-(2-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine is c1cc(-c2cccc3ccccc23)cc(N(c2ccccc2-c2ccc3oc4ccccc4c3c2)c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of N-(2-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine?
The InChIKey is BUJMLDPTXQGLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO2/c1-2-16-34-30(12-1)13-10-20-35(34)31-14-9-15-33(28-31)47(42-23-11-21-39-37-18-4-8-25-44(37)49-46(39)42)41-22-6-3-17-36(41)32-26-27-45-40(29-32)38-19-5-7-24-43(38)48-45/h1-29H.
What are the key properties of N-(2-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine?
N-(2-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-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-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 157465119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).