N-[3-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine

C58H37NO2 — CID 170127172

IUPACN-[3-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc(-c5ccc6ccc7oc8ccccc8c7c6c5)cc4-c4ccccc4)c3)c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C58H37NO2/c1-3-13-38(14-4-1)39-27-31-45(32-28-39)59(52-21-12-24-55-58(52)49-20-8-10-23-54(49)60-55)46-18-11-17-44(35-46)47-33-29-43(36-50(47)40-15-5-2-6-16-40)42-26-25-41-30-34-56-57(51(41)37-42)48-19-7-9-22-53(48)61-56/h1-37H
InChIKeyXWQPWYQUOMWUAF-UHFFFAOYSA-N
MW779.94 g/mol
LogP16.78
Rot. Bonds7

About N-[3-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine

N-[3-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 170127172) has the molecular formula C58H37NO2 and a molecular weight of 779.94 g/mol. Its IUPAC name is N-[3-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[3-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID170127172
Molecular FormulaC58H37NO2
Molecular Weight779.94 g/mol
Exact Mass779.28
IUPAC NameN-[3-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc(-c5ccc6ccc7oc8ccccc8c7c6c5)cc4-c4ccccc4)c3)c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C58H37NO2/c1-3-13-38(14-4-1)39-27-31-45(32-28-39)59(52-21-12-24-55-58(52)49-20-8-10-23-54(49)60-55)46-18-11-17-44(35-46)47-33-29-43(36-50(47)40-15-5-2-6-16-40)42-26-25-41-30-34-56-57(51(41)37-42)48-19-7-9-22-53(48)61-56/h1-37H
InChIKeyXWQPWYQUOMWUAF-UHFFFAOYSA-N
XLogP16.78
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.94
LogP ≤ 516.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-naphthalen-1-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-2-yl-3-phenyl-N-(4-phenylphenyl)aniline
CID 170136482
N-(4-naphtho[2,1-b][1]benzofuran-2-yl-3-phenylphenyl)-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine
CID 170126684
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 170030346
N-(3-dibenzofuran-3-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737856
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 170272057
N-(4-naphtho[2,1-b][1]benzofuran-2-yl-3-phenylphenyl)-6-phenyl-N-(2-phenylphenyl)naphthalen-2-amine
CID 170126650
3-[4-[2,4-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121449953
N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167086573
N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 155186570
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170294640
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810710
N-(4-phenanthren-2-ylphenyl)-N-[3-(4-phenanthren-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810721

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-[3-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine (CID 170127172) is N-[3-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-[3-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-[3-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccc(-c5ccc6ccc7oc8ccccc8c7c6c5)cc4-c4ccccc4)c3)c3cccc4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-[3-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is XWQPWYQUOMWUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO2/c1-3-13-38(14-4-1)39-27-31-45(32-28-39)59(52-21-12-24-55-58(52)49-20-8-10-23-54(49)60-55)46-18-11-17-44(35-46)47-33-29-43(36-50(47)40-15-5-2-6-16-40)42-26-25-41-30-34-56-57(51(41)37-42)48-19-7-9-22-53(48)61-56/h1-37H.
What are the key properties of N-[3-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine?
N-[3-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 779.94 g/mol, XLogP of 16.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 170127172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).