N-(2-dibenzofuran-3-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

C56H35NO2 — CID 171737732

IUPACN-(2-dibenzofuran-3-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1cc(-c2ccc(N(c3ccccc3-c3ccc4c(c3)oc3ccccc34)c3cccc4oc5c6ccccc6ccc5c34)cc2)cc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C56H35NO2/c1-2-13-39-34-42(24-23-36(39)11-1)41-15-9-14-40(33-41)37-25-29-44(30-26-37)57(51-20-10-22-53-55(51)49-32-27-38-12-3-4-17-46(38)56(49)59-53)50-19-7-5-16-45(50)43-28-31-48-47-18-6-8-21-52(47)58-54(48)35-43/h1-35H
InChIKeyXLMMXSHFOAKWQE-UHFFFAOYSA-N
MW753.90 g/mol
LogP16.26
Rot. Bonds6

About N-(2-dibenzofuran-3-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

N-(2-dibenzofuran-3-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171737732) has the molecular formula C56H35NO2 and a molecular weight of 753.90 g/mol. Its IUPAC name is N-(2-dibenzofuran-3-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-3-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171737732
Molecular FormulaC56H35NO2
Molecular Weight753.90 g/mol
Exact Mass753.27
IUPAC NameN-(2-dibenzofuran-3-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1cc(-c2ccc(N(c3ccccc3-c3ccc4c(c3)oc3ccccc34)c3cccc4oc5c6ccccc6ccc5c34)cc2)cc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C56H35NO2/c1-2-13-39-34-42(24-23-36(39)11-1)41-15-9-14-40(33-41)37-25-29-44(30-26-37)57(51-20-10-22-53-55(51)49-32-27-38-12-3-4-17-46(38)56(49)59-53)50-19-7-5-16-45(50)43-28-31-48-47-18-6-8-21-52(47)58-54(48)35-43/h1-35H
InChIKeyXLMMXSHFOAKWQE-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

N-(2-dibenzofuran-3-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739655
N-(2-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738787
N-(2-dibenzofuran-3-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737300
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739651
N-(2-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738021
N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738128
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-2-phenylaniline
CID 166565627
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738770
N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-3-amine
CID 166939347
N-(2-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739178
N-(2,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737725
N,N-bis(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170272791

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-3-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-(2-dibenzofuran-3-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (CID 171737732) is N-(2-dibenzofuran-3-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(2-dibenzofuran-3-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-(2-dibenzofuran-3-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is c1cc(-c2ccc(N(c3ccccc3-c3ccc4c(c3)oc3ccccc34)c3cccc4oc5c6ccccc6ccc5c34)cc2)cc(-c2ccc3ccccc3c2)c1.
What is the InChIKey of N-(2-dibenzofuran-3-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is XLMMXSHFOAKWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NO2/c1-2-13-39-34-42(24-23-36(39)11-1)41-15-9-14-40(33-41)37-25-29-44(30-26-37)57(51-20-10-22-53-55(51)49-32-27-38-12-3-4-17-46(38)56(49)59-53)50-19-7-5-16-45(50)43-28-31-48-47-18-6-8-21-52(47)58-54(48)35-43/h1-35H.
What are the key properties of N-(2-dibenzofuran-3-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
N-(2-dibenzofuran-3-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-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-(2-dibenzofuran-3-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171737732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).