N-(4-dibenzofuran-4-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenylphenyl)naphthalen-1-amine

C56H35NO2 — CID 170127531

IUPACN-(4-dibenzofuran-4-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4cc(-c5ccc6c(ccc7oc8ccccc8c76)c5)ccc34)cc2)cc1
InChIInChI=1S/C56H35NO2/c1-2-10-36(11-3-1)37-20-27-43(28-21-37)57(44-29-22-38(23-30-44)47-15-9-16-49-48-13-4-6-18-52(48)59-56(47)49)51-17-8-12-41-34-39(24-31-45(41)51)40-25-32-46-42(35-40)26-33-54-55(46)50-14-5-7-19-53(50)58-54/h1-35H
InChIKeyQUEPUSGDGUATGK-UHFFFAOYSA-N
MW753.90 g/mol
LogP16.26
Rot. Bonds6

About N-(4-dibenzofuran-4-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenylphenyl)naphthalen-1-amine

N-(4-dibenzofuran-4-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 170127531) has the molecular formula C56H35NO2 and a molecular weight of 753.90 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenylphenyl)naphthalen-1-amine
PubChem CID170127531
Molecular FormulaC56H35NO2
Molecular Weight753.90 g/mol
Exact Mass753.27
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4cc(-c5ccc6c(ccc7oc8ccccc8c76)c5)ccc34)cc2)cc1
InChIInChI=1S/C56H35NO2/c1-2-10-36(11-3-1)37-20-27-43(28-21-37)57(44-29-22-38(23-30-44)47-15-9-16-49-48-13-4-6-18-52(48)59-56(47)49)51-17-8-12-41-34-39(24-31-45(41)51)40-25-32-46-42(35-40)26-33-54-55(46)50-14-5-7-19-53(50)58-54/h1-35H
InChIKeyQUEPUSGDGUATGK-UHFFFAOYSA-N
XLogP16.26
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.90
LogP ≤ 516.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-dibenzofuran-4-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170032090
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-phenylaniline
CID 158645308
N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-1-amine
CID 168805244
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186611
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59136875
N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397813
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396923
2-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325117
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170300451
4-[4-[4-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 157429192
4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 162213494
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-4-amine
CID 135271698

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenylphenyl)naphthalen-1-amine (CID 170127531) is N-(4-dibenzofuran-4-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenylphenyl)naphthalen-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4cc(-c5ccc6c(ccc7oc8ccccc8c76)c5)ccc34)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenylphenyl)naphthalen-1-amine?
The InChIKey is QUEPUSGDGUATGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NO2/c1-2-10-36(11-3-1)37-20-27-43(28-21-37)57(44-29-22-38(23-30-44)47-15-9-16-49-48-13-4-6-18-52(48)59-56(47)49)51-17-8-12-41-34-39(24-31-45(41)51)40-25-32-46-42(35-40)26-33-54-55(46)50-14-5-7-19-53(50)58-54/h1-35H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenylphenyl)naphthalen-1-amine?
N-(4-dibenzofuran-4-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 753.90 g/mol, XLogP of 16.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 170127531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).