N-(3-dibenzofuran-1-yl-5-phenylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine

C50H31NO2 — CID 168810051

IUPACN-(3-dibenzofuran-1-yl-5-phenylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine
SMILESc1ccc(-c2cc(-c3cccc4oc5ccccc5c34)cc(N(c3ccc4ccc5ccccc5c4c3)c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C50H31NO2/c1-2-12-32(13-3-1)35-28-36(40-18-11-23-48-49(40)43-17-7-9-22-47(43)52-48)30-38(29-35)51(45-20-10-19-42-41-16-6-8-21-46(41)53-50(42)45)37-27-26-34-25-24-33-14-4-5-15-39(33)44(34)31-37/h1-31H
InChIKeyIGUIPTRBRAJPKH-UHFFFAOYSA-N
MW677.80 g/mol
LogP14.60
Rot. Bonds5

About N-(3-dibenzofuran-1-yl-5-phenylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine

N-(3-dibenzofuran-1-yl-5-phenylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine (PubChem CID 168810051) has the molecular formula C50H31NO2 and a molecular weight of 677.80 g/mol. Its IUPAC name is N-(3-dibenzofuran-1-yl-5-phenylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-1-yl-5-phenylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine
PubChem CID168810051
Molecular FormulaC50H31NO2
Molecular Weight677.80 g/mol
Exact Mass677.24
IUPAC NameN-(3-dibenzofuran-1-yl-5-phenylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine
SMILESc1ccc(-c2cc(-c3cccc4oc5ccccc5c34)cc(N(c3ccc4ccc5ccccc5c4c3)c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C50H31NO2/c1-2-12-32(13-3-1)35-28-36(40-18-11-23-48-49(40)43-17-7-9-22-47(43)52-48)30-38(29-35)51(45-20-10-19-42-41-16-6-8-21-46(41)53-50(42)45)37-27-26-34-25-24-33-14-4-5-15-39(33)44(34)31-37/h1-31H
InChIKeyIGUIPTRBRAJPKH-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

Computed Properties (RDKit)

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

Analyze N-(3-dibenzofuran-1-yl-5-phenylphenyl)-N-phenanthren-3-yldibenzofuran-4-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-(3,5-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739159
N-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-8-phenyldibenzofuran-4-amine
CID 168809994
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 170033252
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737622
5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(3,5-diphenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 121260395
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-3-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396678
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)dibenzofuran-4-amine
CID 166939558
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)chrysen-1-amine
CID 170137895
N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397813
N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine
CID 168809708
N-(3-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)phenanthren-3-amine
CID 170665788
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-3-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821403

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-1-yl-5-phenylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine?
The IUPAC name of N-(3-dibenzofuran-1-yl-5-phenylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine (CID 168810051) is N-(3-dibenzofuran-1-yl-5-phenylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine.
What is the SMILES notation for N-(3-dibenzofuran-1-yl-5-phenylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine?
The canonical SMILES for N-(3-dibenzofuran-1-yl-5-phenylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine is c1ccc(-c2cc(-c3cccc4oc5ccccc5c34)cc(N(c3ccc4ccc5ccccc5c4c3)c3cccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of N-(3-dibenzofuran-1-yl-5-phenylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine?
The InChIKey is IGUIPTRBRAJPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NO2/c1-2-12-32(13-3-1)35-28-36(40-18-11-23-48-49(40)43-17-7-9-22-47(43)52-48)30-38(29-35)51(45-20-10-19-42-41-16-6-8-21-46(41)53-50(42)45)37-27-26-34-25-24-33-14-4-5-15-39(33)44(34)31-37/h1-31H.
What are the key properties of N-(3-dibenzofuran-1-yl-5-phenylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine?
N-(3-dibenzofuran-1-yl-5-phenylphenyl)-N-phenanthren-3-yldibenzofuran-4-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-(3-dibenzofuran-1-yl-5-phenylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine is sourced from PubChem (CID 168810051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).