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

C52H33NO2 — CID 167324872

IUPACN-(2-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1cc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccccc3-c3cccc4c3oc3ccccc34)cc2)cc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C52H33NO2/c1-2-12-36-32-39(24-23-34(36)11-1)38-14-9-13-37(31-38)35-25-27-40(28-26-35)53(41-29-30-45-43-16-4-7-21-49(43)54-51(45)33-41)48-20-6-3-15-42(48)46-18-10-19-47-44-17-5-8-22-50(44)55-52(46)47/h1-33H
InChIKeyWRIWSCQRNNZNQH-UHFFFAOYSA-N
MW703.84 g/mol
LogP15.11
Rot. Bonds6

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

N-(2-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine (PubChem CID 167324872) has the molecular formula C52H33NO2 and a molecular weight of 703.84 g/mol. Its IUPAC name is N-(2-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
PubChem CID167324872
Molecular FormulaC52H33NO2
Molecular Weight703.84 g/mol
Exact Mass703.25
IUPAC NameN-(2-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1cc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccccc3-c3cccc4c3oc3ccccc34)cc2)cc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C52H33NO2/c1-2-12-36-32-39(24-23-34(36)11-1)38-14-9-13-37(31-38)35-25-27-40(28-26-35)53(41-29-30-45-43-16-4-7-21-49(43)54-51(45)33-41)48-20-6-3-15-42(48)46-18-10-19-47-44-17-5-8-22-50(44)55-52(46)47/h1-33H
InChIKeyWRIWSCQRNNZNQH-UHFFFAOYSA-N
XLogP15.11
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.84
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326067
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325355
N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396874
N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-3-amine
CID 166939347
2-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325117
N-(2-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325714
N-dibenzofuran-3-yl-6-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167396499
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-2-(2-phenylphenyl)aniline
CID 166565866
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-2-phenylaniline
CID 166565627
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186611
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502739
N-dibenzofuran-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]aniline;3-(6-phenyldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline;N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 160949649

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine (CID 167324872) is N-(2-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(2-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(2-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine is c1cc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccccc3-c3cccc4c3oc3ccccc34)cc2)cc(-c2ccc3ccccc3c2)c1.
What is the InChIKey of N-(2-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine?
The InChIKey is WRIWSCQRNNZNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO2/c1-2-12-36-32-39(24-23-34(36)11-1)38-14-9-13-37(31-38)35-25-27-40(28-26-35)53(41-29-30-45-43-16-4-7-21-49(43)54-51(45)33-41)48-20-6-3-15-42(48)46-18-10-19-47-44-17-5-8-22-50(44)55-52(46)47/h1-33H.
What are the key properties of N-(2-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine?
N-(2-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine has a molecular weight of 703.84 g/mol, XLogP of 15.11, 6 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-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 167324872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).