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

C38H23NO2 — CID 121325395

IUPACN-dibenzofuran-1-yl-N-phenanthren-4-yldibenzofuran-1-amine
SMILESc1ccc2c(c1)ccc1cccc(N(c3cccc4oc5ccccc5c34)c3cccc4oc5ccccc5c34)c12
InChIInChI=1S/C38H23NO2/c1-2-12-26-24(10-1)22-23-25-11-7-15-29(36(25)26)39(30-16-8-20-34-37(30)27-13-3-5-18-32(27)40-34)31-17-9-21-35-38(31)28-14-4-6-19-33(28)41-35/h1-23H
InChIKeyBEFDCHHYFLUEJS-UHFFFAOYSA-N
MW525.61 g/mol
LogP11.26
Rot. Bonds3

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

N-dibenzofuran-1-yl-N-phenanthren-4-yldibenzofuran-1-amine (PubChem CID 121325395) has the molecular formula C38H23NO2 and a molecular weight of 525.61 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-phenanthren-4-yldibenzofuran-1-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-phenanthren-4-yldibenzofuran-1-amine
PubChem CID121325395
Molecular FormulaC38H23NO2
Molecular Weight525.61 g/mol
Exact Mass525.17
IUPAC NameN-dibenzofuran-1-yl-N-phenanthren-4-yldibenzofuran-1-amine
SMILESc1ccc2c(c1)ccc1cccc(N(c3cccc4oc5ccccc5c34)c3cccc4oc5ccccc5c34)c12
InChIInChI=1S/C38H23NO2/c1-2-12-26-24(10-1)22-23-25-11-7-15-29(36(25)26)39(30-16-8-20-34-37(30)27-13-3-5-18-32(27)40-34)31-17-9-21-35-38(31)28-14-4-6-19-33(28)41-35/h1-23H
InChIKeyBEFDCHHYFLUEJS-UHFFFAOYSA-N
XLogP11.26
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.61
LogP ≤ 511.26
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-4-yldibenzofuran-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-dibenzofuran-1-yl-N-phenanthren-3-yldibenzofuran-1-amine
CID 121325451
N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-1-amine
CID 167278045
N-benzo[c]phenanthren-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 167184393
N-dibenzofuran-1-yl-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
CID 176821060
N-(4-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810677
22-oxahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 178088617
N-(2-naphthalen-1-ylphenyl)-N-[2-(4-phenanthren-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810444
N-(4-phenanthren-3-ylphenyl)-N-[4-(4-phenanthren-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810700
N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-phenyldibenzofuran-1-amine
CID 164774544
N-dibenzofuran-1-yl-N-phenyl-18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine
CID 163615135
N-dibenzofuran-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 170032080
N-(4-chrysen-3-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 170137179

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-phenanthren-4-yldibenzofuran-1-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-phenanthren-4-yldibenzofuran-1-amine (CID 121325395) is N-dibenzofuran-1-yl-N-phenanthren-4-yldibenzofuran-1-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-phenanthren-4-yldibenzofuran-1-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-phenanthren-4-yldibenzofuran-1-amine is c1ccc2c(c1)ccc1cccc(N(c3cccc4oc5ccccc5c34)c3cccc4oc5ccccc5c34)c12.
What is the InChIKey of N-dibenzofuran-1-yl-N-phenanthren-4-yldibenzofuran-1-amine?
The InChIKey is BEFDCHHYFLUEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23NO2/c1-2-12-26-24(10-1)22-23-25-11-7-15-29(36(25)26)39(30-16-8-20-34-37(30)27-13-3-5-18-32(27)40-34)31-17-9-21-35-38(31)28-14-4-6-19-33(28)41-35/h1-23H.
What are the key properties of N-dibenzofuran-1-yl-N-phenanthren-4-yldibenzofuran-1-amine?
N-dibenzofuran-1-yl-N-phenanthren-4-yldibenzofuran-1-amine has a molecular weight of 525.61 g/mol, XLogP of 11.26, 3 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-4-yldibenzofuran-1-amine is sourced from PubChem (CID 121325395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).