N-dibenzofuran-1-yl-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine

C44H27NO2 — CID 176821060

IUPACN-dibenzofuran-1-yl-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc4c3ccc3ccccc34)c3cccc4oc5ccccc5c34)c3c2oc2ccccc23)cc1
InChIInChI=1S/C44H27NO2/c1-2-12-28(13-3-1)31-26-27-38(43-35-17-7-9-22-40(35)47-44(31)43)45(37-20-11-23-41-42(37)34-16-6-8-21-39(34)46-41)36-19-10-18-32-30-15-5-4-14-29(30)24-25-33(32)36/h1-27H
InChIKeyOHPQRIZXUILXTE-UHFFFAOYSA-N
MW601.71 g/mol
LogP12.93
Rot. Bonds4

About N-dibenzofuran-1-yl-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine

N-dibenzofuran-1-yl-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine (PubChem CID 176821060) has the molecular formula C44H27NO2 and a molecular weight of 601.71 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
PubChem CID176821060
Molecular FormulaC44H27NO2
Molecular Weight601.71 g/mol
Exact Mass601.20
IUPAC NameN-dibenzofuran-1-yl-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc4c3ccc3ccccc34)c3cccc4oc5ccccc5c34)c3c2oc2ccccc23)cc1
InChIInChI=1S/C44H27NO2/c1-2-12-28(13-3-1)31-26-27-38(43-35-17-7-9-22-40(35)47-44(31)43)45(37-20-11-23-41-42(37)34-16-6-8-21-39(34)46-41)36-19-10-18-32-30-15-5-4-14-29(30)24-25-33(32)36/h1-27H
InChIKeyOHPQRIZXUILXTE-UHFFFAOYSA-N
XLogP12.93
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.71
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-dibenzofuran-1-yl-N-phenanthren-1-yl-4-phenyldibenzofuran-1-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-phenanthren-1-yl-N-(6-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820912
N-phenanthren-1-yl-4-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820432
N-(2,5-diphenylphenyl)-N-phenanthren-1-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820901
4-naphthalen-1-yl-N,N-di(phenanthren-1-yl)dibenzofuran-1-amine
CID 176821012
N-(3,4-diphenylphenyl)-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
CID 176821447
N-phenanthren-4-yl-N-phenanthren-9-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820452
N-[4-(2,5-diphenylphenyl)phenyl]-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
CID 176820885
N-phenanthren-2-yl-N-phenanthren-9-yl-4-phenyldibenzofuran-1-amine
CID 176820953
4-naphthalen-1-yl-N-phenanthren-1-yl-N-phenanthren-9-yldibenzofuran-1-amine
CID 176821108
N-dibenzothiophen-3-yl-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
CID 176821400
N-(2-naphthalen-1-ylphenyl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069373
N-phenanthren-2-yl-N-phenanthren-9-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820506

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine (CID 176821060) is N-dibenzofuran-1-yl-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine is c1ccc(-c2ccc(N(c3cccc4c3ccc3ccccc34)c3cccc4oc5ccccc5c34)c3c2oc2ccccc23)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine?
The InChIKey is OHPQRIZXUILXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NO2/c1-2-12-28(13-3-1)31-26-27-38(43-35-17-7-9-22-40(35)47-44(31)43)45(37-20-11-23-41-42(37)34-16-6-8-21-39(34)46-41)36-19-10-18-32-30-15-5-4-14-29(30)24-25-33(32)36/h1-27H.
What are the key properties of N-dibenzofuran-1-yl-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine?
N-dibenzofuran-1-yl-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine has a molecular weight of 601.71 g/mol, XLogP of 12.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine is sourced from PubChem (CID 176821060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).