N-dibenzofuran-4-yl-7-naphthalen-2-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine

C50H31NO2 — CID 155423965

IUPACN-dibenzofuran-4-yl-7-naphthalen-2-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
SMILESc1ccc(-c2cccc(N(c3cc4c(oc5cccc(-c6ccc7ccccc7c6)c54)c4ccccc34)c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C50H31NO2/c1-2-13-32(14-3-1)35-17-10-18-37(30-35)51(44-24-11-23-42-40-20-8-9-25-46(40)52-50(42)44)45-31-43-48-38(36-28-27-33-15-4-5-16-34(33)29-36)22-12-26-47(48)53-49(43)41-21-7-6-19-39(41)45/h1-31H
InChIKeyNUIMHYTYIGJJAZ-UHFFFAOYSA-N
MW677.80 g/mol
LogP14.60
Rot. Bonds5

About N-dibenzofuran-4-yl-7-naphthalen-2-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine

N-dibenzofuran-4-yl-7-naphthalen-2-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine (PubChem CID 155423965) has the molecular formula C50H31NO2 and a molecular weight of 677.80 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-7-naphthalen-2-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-7-naphthalen-2-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
PubChem CID155423965
Molecular FormulaC50H31NO2
Molecular Weight677.80 g/mol
Exact Mass677.24
IUPAC NameN-dibenzofuran-4-yl-7-naphthalen-2-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
SMILESc1ccc(-c2cccc(N(c3cc4c(oc5cccc(-c6ccc7ccccc7c6)c54)c4ccccc34)c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C50H31NO2/c1-2-13-32(14-3-1)35-17-10-18-37(30-35)51(44-24-11-23-42-40-20-8-9-25-46(40)52-50(42)44)45-31-43-48-38(36-28-27-33-15-4-5-16-34(33)29-36)22-12-26-47(48)53-49(43)41-21-7-6-19-39(41)45/h1-31H
InChIKeyNUIMHYTYIGJJAZ-UHFFFAOYSA-N
XLogP14.60
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.80
LogP ≤ 514.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155424002
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
N-naphthalen-1-yl-7-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423929
N-dibenzofuran-4-yl-N,7-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423986
N-naphthalen-2-yl-N,7-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;N-naphthalen-1-yl-N-(2-phenylphenyl)-7-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;N-naphthalen-2-yl-N-(2-phenylphenyl)-7-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;N-naphthalen-2-yl-7-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 159633429
7-[3-(N-naphthalen-2-ylanilino)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-5-amine
CID 155423803
N-[2-[3-(N-dibenzofuran-4-yl-3-phenylanilino)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 167086724
N,7-dinaphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 147538410
N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423922
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)dibenzofuran-4-amine
CID 166939558
N-naphthalen-1-yl-7-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155423836

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-7-naphthalen-2-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
The IUPAC name of N-dibenzofuran-4-yl-7-naphthalen-2-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine (CID 155423965) is N-dibenzofuran-4-yl-7-naphthalen-2-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-7-naphthalen-2-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
The canonical SMILES for N-dibenzofuran-4-yl-7-naphthalen-2-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine is c1ccc(-c2cccc(N(c3cc4c(oc5cccc(-c6ccc7ccccc7c6)c54)c4ccccc34)c3cccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of N-dibenzofuran-4-yl-7-naphthalen-2-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
The InChIKey is NUIMHYTYIGJJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NO2/c1-2-13-32(14-3-1)35-17-10-18-37(30-35)51(44-24-11-23-42-40-20-8-9-25-46(40)52-50(42)44)45-31-43-48-38(36-28-27-33-15-4-5-16-34(33)29-36)22-12-26-47(48)53-49(43)41-21-7-6-19-39(41)45/h1-31H.
What are the key properties of N-dibenzofuran-4-yl-7-naphthalen-2-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
N-dibenzofuran-4-yl-7-naphthalen-2-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine has a molecular weight of 677.80 g/mol, XLogP of 14.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-7-naphthalen-2-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine is sourced from PubChem (CID 155423965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).