N-(3-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

C52H33NO2 — CID 171739159

IUPACN-(3-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3cccc(-c4cccc5oc6ccccc6c45)c3)c3cccc4oc5c6ccccc6ccc5c34)c2)cc1
InChIInChI=1S/C52H33NO2/c1-3-14-34(15-4-1)38-30-39(35-16-5-2-6-17-35)33-41(32-38)53(46-24-13-27-49-51(46)45-29-28-36-18-7-8-21-43(36)52(45)55-49)40-20-11-19-37(31-40)42-23-12-26-48-50(42)44-22-9-10-25-47(44)54-48/h1-33H
InChIKeyJNTXUGRTDKATKR-UHFFFAOYSA-N
MW703.84 g/mol
LogP15.11
Rot. Bonds6

About N-(3-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

N-(3-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171739159) has the molecular formula C52H33NO2 and a molecular weight of 703.84 g/mol. Its IUPAC name is N-(3-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171739159
Molecular FormulaC52H33NO2
Molecular Weight703.84 g/mol
Exact Mass703.25
IUPAC NameN-(3-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3cccc(-c4cccc5oc6ccccc6c45)c3)c3cccc4oc5c6ccccc6ccc5c34)c2)cc1
InChIInChI=1S/C52H33NO2/c1-3-14-34(15-4-1)38-30-39(35-16-5-2-6-17-35)33-41(32-38)53(46-24-13-27-49-51(46)45-29-28-36-18-7-8-21-43(36)52(45)55-49)40-20-11-19-37(31-40)42-23-12-26-48-50(42)44-22-9-10-25-47(44)54-48/h1-33H
InChIKeyJNTXUGRTDKATKR-UHFFFAOYSA-N
XLogP15.11
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.84
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(3-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-dibenzofuran-1-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737622
N-(3-naphthalen-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine
CID 167329983
N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738835
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 166939006
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 163945137
N-[3-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738106
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 167277971
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 167330620
N-(4-naphthalen-2-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 167330723
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)phenanthren-1-amine
CID 166939869
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738577
N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739509

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-(3-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (CID 171739159) is N-(3-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(3-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-(3-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is c1ccc(-c2cc(-c3ccccc3)cc(N(c3cccc(-c4cccc5oc6ccccc6c45)c3)c3cccc4oc5c6ccccc6ccc5c34)c2)cc1.
What is the InChIKey of N-(3-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is JNTXUGRTDKATKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO2/c1-3-14-34(15-4-1)38-30-39(35-16-5-2-6-17-35)33-41(32-38)53(46-24-13-27-49-51(46)45-29-28-36-18-7-8-21-43(36)52(45)55-49)40-20-11-19-37(31-40)42-23-12-26-48-50(42)44-22-9-10-25-47(44)54-48/h1-33H.
What are the key properties of N-(3-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
N-(3-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 703.84 g/mol, XLogP of 15.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171739159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).