N-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine

C56H35NO2 — CID 155424002

IUPACN-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cc4c(oc5cccc(-c6ccc7ccccc7c6)c54)c4ccccc34)cc2)cc1
InChIInChI=1S/C56H35NO2/c1-2-12-36(13-3-1)38-26-30-42(31-27-38)57(43-32-28-39(29-33-43)45-20-10-21-49-47-17-8-9-22-52(47)58-55(45)49)51-35-50-54-44(41-25-24-37-14-4-5-15-40(37)34-41)19-11-23-53(54)59-56(50)48-18-7-6-16-46(48)51/h1-35H
InChIKeyDREXWZCJUFWCSU-UHFFFAOYSA-N
MW753.90 g/mol
LogP16.26
Rot. Bonds6

About N-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine

N-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine (PubChem CID 155424002) has the molecular formula C56H35NO2 and a molecular weight of 753.90 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
PubChem CID155424002
Molecular FormulaC56H35NO2
Molecular Weight753.90 g/mol
Exact Mass753.27
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cc4c(oc5cccc(-c6ccc7ccccc7c6)c54)c4ccccc34)cc2)cc1
InChIInChI=1S/C56H35NO2/c1-2-12-36(13-3-1)38-26-30-42(31-27-38)57(43-32-28-39(29-33-43)45-20-10-21-49-47-17-8-9-22-52(47)58-55(45)49)51-35-50-54-44(41-25-24-37-14-4-5-15-40(37)34-41)19-11-23-53(54)59-56(50)48-18-7-6-16-46(48)51/h1-35H
InChIKeyDREXWZCJUFWCSU-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-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423922
N,N-bis(4-phenylphenyl)-7-[3-(N-(4-phenylphenyl)anilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine;N,N-diphenyl-7-[3-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine;N-naphthalen-2-yl-N-phenyl-7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine;7-[3-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 158142050
7-naphthalen-2-yl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;7-naphthalen-2-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;7-naphthalen-2-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 159261204
N-naphthalen-2-yl-7-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423671
N-dibenzofuran-4-yl-7-naphthalen-2-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423965
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396923
7-[3-(N-naphthalen-2-ylanilino)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-5-amine
CID 155423803
N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374329
7-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423690
N-(4-dibenzofuran-4-ylphenyl)-2-[3-[6-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]naphthalen-2-yl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 155133205
N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 166566033
N-dibenzofuran-4-yl-N,7-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423986

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine (CID 155424002) is N-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cc4c(oc5cccc(-c6ccc7ccccc7c6)c54)c4ccccc34)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
The InChIKey is DREXWZCJUFWCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NO2/c1-2-12-36(13-3-1)38-26-30-42(31-27-38)57(43-32-28-39(29-33-43)45-20-10-21-49-47-17-8-9-22-52(47)58-55(45)49)51-35-50-54-44(41-25-24-37-14-4-5-15-40(37)34-41)19-11-23-53(54)59-56(50)48-18-7-6-16-46(48)51/h1-35H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
N-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-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)-7-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine is sourced from PubChem (CID 155424002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).