N-(2-naphthalen-1-ylphenyl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine

C52H35NO — CID 177069373

IUPACN-(2-naphthalen-1-ylphenyl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccccc3-c3cccc4ccccc34)c3ccc(-c4ccccc4)c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C52H35NO/c1-3-16-36(17-4-1)37-30-32-40(33-31-37)42-23-9-12-27-47(42)53(48-28-13-10-24-45(48)44-26-15-21-38-20-7-8-22-41(38)44)49-35-34-43(39-18-5-2-6-19-39)52-51(49)46-25-11-14-29-50(46)54-52/h1-35H
InChIKeyLONXYGMRLFRQSH-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.88
Rot. Bonds7

About N-(2-naphthalen-1-ylphenyl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine

N-(2-naphthalen-1-ylphenyl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 177069373) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is N-(2-naphthalen-1-ylphenyl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(2-naphthalen-1-ylphenyl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
PubChem CID177069373
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC NameN-(2-naphthalen-1-ylphenyl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccccc3-c3cccc4ccccc34)c3ccc(-c4ccccc4)c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C52H35NO/c1-3-16-36(17-4-1)37-30-32-40(33-31-37)42-23-9-12-27-47(42)53(48-28-13-10-24-45(48)44-26-15-21-38-20-7-8-22-41(38)44)49-35-34-43(39-18-5-2-6-19-39)52-51(49)46-25-11-14-29-50(46)54-52/h1-35H
InChIKeyLONXYGMRLFRQSH-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

4-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]-N-(2-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069796
4-phenyl-N-(4-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-amine
CID 167087184
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168848092
4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168848086
N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168847848
N-phenanthren-1-yl-N-(6-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820912
4-naphthalen-1-yl-N-(2-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069748
N-(2,5-diphenylphenyl)-N-phenanthren-1-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820901
N-phenanthren-2-yl-N-(2-phenylphenyl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820810
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-4-yl-4-phenyldibenzofuran-1-amine
CID 176821420
4-naphthalen-1-yl-N,N-di(phenanthren-1-yl)dibenzofuran-1-amine
CID 176821012
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168848045

Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-1-ylphenyl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(2-naphthalen-1-ylphenyl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine (CID 177069373) is N-(2-naphthalen-1-ylphenyl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-(2-naphthalen-1-ylphenyl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(2-naphthalen-1-ylphenyl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccccc3-c3cccc4ccccc34)c3ccc(-c4ccccc4)c4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-(2-naphthalen-1-ylphenyl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is LONXYGMRLFRQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-3-16-36(17-4-1)37-30-32-40(33-31-37)42-23-9-12-27-47(42)53(48-28-13-10-24-45(48)44-26-15-21-38-20-7-8-22-41(38)44)49-35-34-43(39-18-5-2-6-19-39)52-51(49)46-25-11-14-29-50(46)54-52/h1-35H.
What are the key properties of N-(2-naphthalen-1-ylphenyl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
N-(2-naphthalen-1-ylphenyl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-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-(2-naphthalen-1-ylphenyl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 177069373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).