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

C52H35NO — CID 166566139

IUPACN-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4cccc(-c5ccc6ccccc6c5)c4)cc3)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C52H35NO/c1-2-12-36(13-3-1)38-24-27-40(28-25-38)46-18-6-8-21-49(46)53(50-22-11-20-48-47-19-7-9-23-51(47)54-52(48)50)45-32-30-39(31-33-45)42-16-10-17-43(34-42)44-29-26-37-14-4-5-15-41(37)35-44/h1-35H
InChIKeyWLXQKCJZEOWELB-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.88
Rot. Bonds7

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

N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine (PubChem CID 166566139) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
PubChem CID166566139
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC NameN-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4cccc(-c5ccc6ccccc6c5)c4)cc3)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C52H35NO/c1-2-12-36(13-3-1)38-24-27-40(28-25-38)46-18-6-8-21-49(46)53(50-22-11-20-48-47-19-7-9-23-51(47)54-52(48)50)45-32-30-39(31-33-45)42-16-10-17-43(34-42)44-29-26-37-14-4-5-15-41(37)35-44/h1-35H
InChIKeyWLXQKCJZEOWELB-UHFFFAOYSA-N
XLogP14.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-9-(4-phenylphenyl)dibenzofuran-4-amine
CID 166055357
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566280
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396923
N-(4-dibenzofuran-4-ylphenyl)-2-[3-[6-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]naphthalen-2-yl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 155133205
N-[3-naphthalen-2-yl-2-(6-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 177097122
N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374329
N-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-2,6-diphenyldibenzofuran-4-amine
CID 168771989
N-naphthalen-2-yl-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172502504
N-(3,4-diphenylphenyl)-N-[2-(7-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 177080726
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-phenyl-3-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 177080790
N-[2-[3-(N-dibenzofuran-4-yl-3-phenylanilino)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 167086724
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-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine?
The IUPAC name of N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine (CID 166566139) is N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4cccc(-c5ccc6ccccc6c5)c4)cc3)c3cccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine?
The InChIKey is WLXQKCJZEOWELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-2-12-36(13-3-1)38-24-27-40(28-25-38)46-18-6-8-21-49(46)53(50-22-11-20-48-47-19-7-9-23-51(47)54-52(48)50)45-32-30-39(31-33-45)42-16-10-17-43(34-42)44-29-26-37-14-4-5-15-41(37)35-44/h1-35H.
What are the key properties of N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine?
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine has a molecular weight of 689.86 g/mol, XLogP of 14.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 166566139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).