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

C50H31NO2 — CID 166939347

IUPACN-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-3-amine
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3c(c2)oc2ccccc23)c(-c2cccc3oc4c5ccccc5ccc4c23)c1
InChIInChI=1S/C50H31NO2/c1-2-12-35-30-36(21-20-32(35)10-1)33-22-25-37(26-23-33)51(38-27-29-42-41-15-6-8-18-46(41)52-48(42)31-38)45-17-7-5-14-40(45)43-16-9-19-47-49(43)44-28-24-34-11-3-4-13-39(34)50(44)53-47/h1-31H
InChIKeyJKNGAUIQHJZXFD-UHFFFAOYSA-N
MW677.80 g/mol
LogP14.60
Rot. Bonds5

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

N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-3-amine (PubChem CID 166939347) has the molecular formula C50H31NO2 and a molecular weight of 677.80 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-3-amine
PubChem CID166939347
Molecular FormulaC50H31NO2
Molecular Weight677.80 g/mol
Exact Mass677.24
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-3-amine
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3c(c2)oc2ccccc23)c(-c2cccc3oc4c5ccccc5ccc4c23)c1
InChIInChI=1S/C50H31NO2/c1-2-12-35-30-36(21-20-32(35)10-1)33-22-25-37(26-23-33)51(38-27-29-42-41-15-6-8-18-46(41)52-48(42)31-38)45-17-7-5-14-40(45)43-16-9-19-47-49(43)44-28-24-34-11-3-4-13-39(34)50(44)53-47/h1-31H
InChIKeyJKNGAUIQHJZXFD-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

N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 166939334
N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330356
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325355
N-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
CID 167329404
N-(4-dibenzofuran-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 167329386
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(3-phenylphenyl)aniline
CID 167330277
N-(2-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325714
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330822
N-(2-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167324872
N-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 167330258
N-(2-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739178
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 167329689

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-3-amine (CID 166939347) is N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-3-amine is c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3c(c2)oc2ccccc23)c(-c2cccc3oc4c5ccccc5ccc4c23)c1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-3-amine?
The InChIKey is JKNGAUIQHJZXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NO2/c1-2-12-35-30-36(21-20-32(35)10-1)33-22-25-37(26-23-33)51(38-27-29-42-41-15-6-8-18-46(41)52-48(42)31-38)45-17-7-5-14-40(45)43-16-9-19-47-49(43)44-28-24-34-11-3-4-13-39(34)50(44)53-47/h1-31H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-3-amine?
N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-3-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-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 166939347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).