4-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline

C44H29NO — CID 155303641

IUPAC4-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C44H29NO/c1-2-12-33(13-3-1)45(34-25-21-30(22-26-34)37-18-10-19-41-40-17-8-9-20-43(40)46-44(37)41)35-27-23-31(24-28-35)42-29-32-11-4-5-14-36(32)38-15-6-7-16-39(38)42/h1-29H
InChIKeyZUAALNJPXXMFLF-UHFFFAOYSA-N
MW587.72 g/mol
LogP12.70
Rot. Bonds5

About 4-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline

4-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline (PubChem CID 155303641) has the molecular formula C44H29NO and a molecular weight of 587.72 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
PubChem CID155303641
Molecular FormulaC44H29NO
Molecular Weight587.72 g/mol
Exact Mass587.22
IUPAC Name4-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C44H29NO/c1-2-12-33(13-3-1)45(34-25-21-30(22-26-34)37-18-10-19-41-40-17-8-9-20-43(40)46-44(37)41)35-27-23-31(24-28-35)42-29-32-11-4-5-14-36(32)38-15-6-7-16-39(38)42/h1-29H
InChIKeyZUAALNJPXXMFLF-UHFFFAOYSA-N
XLogP12.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.72
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline 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

1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59022075
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 59022085
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-phenylaniline
CID 162494606
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 167553634
N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline
CID 167402206
N-(3-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167234646
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline
CID 137392933
4-dibenzofuran-4-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]aniline
CID 167143311
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]chrysen-3-amine
CID 171399261
3-N-(4-dibenzofuran-4-ylphenyl)-1-N,5-N-bis(4-naphthalen-1-ylphenyl)-1-N,5-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3,5-triamine
CID 139393698
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 157200619

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline?
The IUPAC name of 4-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline (CID 155303641) is 4-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline.
What is the SMILES notation for 4-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline?
The canonical SMILES for 4-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline is c1ccc(N(c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of 4-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline?
The InChIKey is ZUAALNJPXXMFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NO/c1-2-12-33(13-3-1)45(34-25-21-30(22-26-34)37-18-10-19-41-40-17-8-9-20-43(40)46-44(37)41)35-27-23-31(24-28-35)42-29-32-11-4-5-14-36(32)38-15-6-7-16-39(38)42/h1-29H.
What are the key properties of 4-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline?
4-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline has a molecular weight of 587.72 g/mol, XLogP of 12.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline is sourced from PubChem (CID 155303641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).