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

C52H35NO — CID 177069663

IUPAC4-naphthalen-2-yl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccccc3-c3ccccc3)c3ccc(-c4ccc5ccccc5c4)c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C52H35NO/c1-3-15-36(16-4-1)38-29-31-42(32-30-38)53(48-25-13-11-23-46(48)45-22-10-9-21-43(45)39-18-5-2-6-19-39)49-34-33-44(41-28-27-37-17-7-8-20-40(37)35-41)52-51(49)47-24-12-14-26-50(47)54-52/h1-35H
InChIKeyYLQWPVHHHBSYMC-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.88
Rot. Bonds7

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

4-naphthalen-2-yl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 177069663) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is 4-naphthalen-2-yl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound Name4-naphthalen-2-yl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
PubChem CID177069663
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC Name4-naphthalen-2-yl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccccc3-c3ccccc3)c3ccc(-c4ccc5ccccc5c4)c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C52H35NO/c1-3-15-36(16-4-1)38-29-31-42(32-30-38)53(48-25-13-11-23-46(48)45-22-10-9-21-43(45)39-18-5-2-6-19-39)49-34-33-44(41-28-27-37-17-7-8-20-40(37)35-41)52-51(49)47-24-12-14-26-50(47)54-52/h1-35H
InChIKeyYLQWPVHHHBSYMC-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-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069864
4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069341
4-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069277
4-naphthalen-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069342
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168847972
N-(4-naphthalen-2-ylphenyl)-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168847874
4-naphthalen-2-yl-N-[2-(2-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069399
4-naphthalen-2-yl-N-[2-(3-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069453
N-[4-[2-(3,5-diphenylphenyl)phenyl]phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyldibenzofuran-1-amine
CID 168847734
4-naphthalen-2-yl-N-[3-(2-phenylphenyl)phenyl]-N-(2-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069190
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069839
2-dibenzofuran-1-yl-N-[2-(2-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167325982

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of 4-naphthalen-2-yl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine (CID 177069663) is 4-naphthalen-2-yl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for 4-naphthalen-2-yl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for 4-naphthalen-2-yl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine is c1ccc(-c2ccc(N(c3ccccc3-c3ccccc3-c3ccccc3)c3ccc(-c4ccc5ccccc5c4)c4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of 4-naphthalen-2-yl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is YLQWPVHHHBSYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-3-15-36(16-4-1)38-29-31-42(32-30-38)53(48-25-13-11-23-46(48)45-22-10-9-21-43(45)39-18-5-2-6-19-39)49-34-33-44(41-28-27-37-17-7-8-20-40(37)35-41)52-51(49)47-24-12-14-26-50(47)54-52/h1-35H.
What are the key properties of 4-naphthalen-2-yl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine?
4-naphthalen-2-yl-N-(4-phenylphenyl)-N-[2-(2-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 4-naphthalen-2-yl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 177069663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).