N-[4-(4,6-diphenyldibenzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine

C58H37NO2 — CID 148657680

IUPACN-[4-(4,6-diphenyldibenzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2cccc3c2oc2c(-c4ccccc4)cc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc6c(c5)oc5ccccc56)cc4)cc23)cc1
InChIInChI=1S/C58H37NO2/c1-3-13-40(14-4-1)49-22-12-23-52-54-36-43(35-53(58(54)61-57(49)52)41-15-5-2-6-16-41)38-25-29-44(30-26-38)59(46-33-34-51-50-20-9-10-24-55(50)60-56(51)37-46)45-31-27-42(28-32-45)48-21-11-18-39-17-7-8-19-47(39)48/h1-37H
InChIKeyNNEAPNFSKMYZEF-UHFFFAOYSA-N
MW779.94 g/mol
LogP16.78
Rot. Bonds7

About N-[4-(4,6-diphenyldibenzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine

N-[4-(4,6-diphenyldibenzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine (PubChem CID 148657680) has the molecular formula C58H37NO2 and a molecular weight of 779.94 g/mol. Its IUPAC name is N-[4-(4,6-diphenyldibenzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-(4,6-diphenyldibenzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
PubChem CID148657680
Molecular FormulaC58H37NO2
Molecular Weight779.94 g/mol
Exact Mass779.28
IUPAC NameN-[4-(4,6-diphenyldibenzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2cccc3c2oc2c(-c4ccccc4)cc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc6c(c5)oc5ccccc56)cc4)cc23)cc1
InChIInChI=1S/C58H37NO2/c1-3-13-40(14-4-1)49-22-12-23-52-54-36-43(35-53(58(54)61-57(49)52)41-15-5-2-6-16-41)38-25-29-44(30-26-38)59(46-33-34-51-50-20-9-10-24-55(50)60-56(51)37-46)45-31-27-42(28-32-45)48-21-11-18-39-17-7-8-19-47(39)48/h1-37H
InChIKeyNNEAPNFSKMYZEF-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-dibenzofuran-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzofuran-3-amine
CID 121296704
N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-[4-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 169302137
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808580
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 139363157
N-dibenzofuran-3-yl-N-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)dibenzofuran-4-amine
CID 167397702
N-(4-naphthalen-1-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501087
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 157200619
N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzofuran-3-amine
CID 167143711
N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 139352842
N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-6-phenyldibenzofuran-3-amine
CID 169302169
N,N-bis(4-naphthalen-1-ylphenyl)-2,6-diphenyldibenzofuran-4-amine
CID 168771985

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-diphenyldibenzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-[4-(4,6-diphenyldibenzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine (CID 148657680) is N-[4-(4,6-diphenyldibenzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-[4-(4,6-diphenyldibenzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-[4-(4,6-diphenyldibenzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine is c1ccc(-c2cccc3c2oc2c(-c4ccccc4)cc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc6c(c5)oc5ccccc56)cc4)cc23)cc1.
What is the InChIKey of N-[4-(4,6-diphenyldibenzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
The InChIKey is NNEAPNFSKMYZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO2/c1-3-13-40(14-4-1)49-22-12-23-52-54-36-43(35-53(58(54)61-57(49)52)41-15-5-2-6-16-41)38-25-29-44(30-26-38)59(46-33-34-51-50-20-9-10-24-55(50)60-56(51)37-46)45-31-27-42(28-32-45)48-21-11-18-39-17-7-8-19-47(39)48/h1-37H.
What are the key properties of N-[4-(4,6-diphenyldibenzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
N-[4-(4,6-diphenyldibenzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-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-[4-(4,6-diphenyldibenzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 148657680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).