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

C54H33NO2 — CID 174285658

IUPACN-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-N-(4-phenanthren-1-ylphenyl)dibenzofuran-4-amine
SMILESc1ccc(N(c2ccc(-c3cccc4c3ccc3ccccc34)cc2)c2cccc3c2oc2ccccc23)c(-c2ccc3oc4cc5ccccc5cc4c3c2)c1
InChIInChI=1S/C54H33NO2/c1-2-13-37-33-53-48(31-36(37)12-1)47-32-38(26-30-52(47)56-53)42-15-5-7-20-49(42)55(50-21-10-19-46-45-16-6-8-22-51(45)57-54(46)50)39-27-23-35(24-28-39)41-17-9-18-43-40-14-4-3-11-34(40)25-29-44(41)43/h1-33H
InChIKeyGKRLANJVEXFTAV-UHFFFAOYSA-N
MW727.86 g/mol
LogP15.75
Rot. Bonds5

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

N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-N-(4-phenanthren-1-ylphenyl)dibenzofuran-4-amine (PubChem CID 174285658) has the molecular formula C54H33NO2 and a molecular weight of 727.86 g/mol. Its IUPAC name is N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-N-(4-phenanthren-1-ylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-N-(4-phenanthren-1-ylphenyl)dibenzofuran-4-amine
PubChem CID174285658
Molecular FormulaC54H33NO2
Molecular Weight727.86 g/mol
Exact Mass727.25
IUPAC NameN-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-N-(4-phenanthren-1-ylphenyl)dibenzofuran-4-amine
SMILESc1ccc(N(c2ccc(-c3cccc4c3ccc3ccccc34)cc2)c2cccc3c2oc2ccccc23)c(-c2ccc3oc4cc5ccccc5cc4c3c2)c1
InChIInChI=1S/C54H33NO2/c1-2-13-37-33-53-48(31-36(37)12-1)47-32-38(26-30-52(47)56-53)42-15-5-7-20-49(42)55(50-21-10-19-46-45-16-6-8-22-51(45)57-54(46)50)39-27-23-35(24-28-39)41-17-9-18-43-40-14-4-3-11-34(40)25-29-44(41)43/h1-33H
InChIKeyGKRLANJVEXFTAV-UHFFFAOYSA-N
XLogP15.75
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.86
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)dibenzofuran-2-amine
CID 174280847
N-[4-[7-[5-[3-[2-[dibenzofuran-4-yl(phenanthren-2-yl)amino]phenyl]phenyl]naphthalen-1-yl]triphenylen-2-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
CID 170014502
2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324733
N-(2-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 157465119
N-(2-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 167326199
2-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325381
N-[2-[3-[5-[10-[N-dibenzofuran-4-yl-2-(3-naphthalen-1-ylphenyl)anilino]triphenylen-2-yl]naphthalen-1-yl]phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 170014571
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-8-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 174273290
N-(2-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738787
N-(2-dibenzofuran-2-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 167325549
N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804017
N-dibenzofuran-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,3-b][1]benzofuran-4-amine
CID 169285185

Frequently Asked Questions

What is the IUPAC name of N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-N-(4-phenanthren-1-ylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-N-(4-phenanthren-1-ylphenyl)dibenzofuran-4-amine (CID 174285658) is N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-N-(4-phenanthren-1-ylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-N-(4-phenanthren-1-ylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-N-(4-phenanthren-1-ylphenyl)dibenzofuran-4-amine is c1ccc(N(c2ccc(-c3cccc4c3ccc3ccccc34)cc2)c2cccc3c2oc2ccccc23)c(-c2ccc3oc4cc5ccccc5cc4c3c2)c1.
What is the InChIKey of N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-N-(4-phenanthren-1-ylphenyl)dibenzofuran-4-amine?
The InChIKey is GKRLANJVEXFTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NO2/c1-2-13-37-33-53-48(31-36(37)12-1)47-32-38(26-30-52(47)56-53)42-15-5-7-20-49(42)55(50-21-10-19-46-45-16-6-8-22-51(45)57-54(46)50)39-27-23-35(24-28-39)41-17-9-18-43-40-14-4-3-11-34(40)25-29-44(41)43/h1-33H.
What are the key properties of N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-N-(4-phenanthren-1-ylphenyl)dibenzofuran-4-amine?
N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-N-(4-phenanthren-1-ylphenyl)dibenzofuran-4-amine has a molecular weight of 727.86 g/mol, XLogP of 15.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-N-(4-phenanthren-1-ylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 174285658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).