N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine

C44H29NO — CID 163411525

IUPACN-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3cccc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C44H29NO/c1-2-12-30(13-3-1)32-15-10-16-35(28-32)45(41-21-11-23-43-44(41)39-20-8-9-22-42(39)46-43)34-26-24-31(25-27-34)40-29-33-14-4-5-17-36(33)37-18-6-7-19-38(37)40/h1-29H
InChIKeyRIERJBXJGLPNNL-UHFFFAOYSA-N
MW587.72 g/mol
LogP12.70
Rot. Bonds5

About N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine

N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine (PubChem CID 163411525) has the molecular formula C44H29NO and a molecular weight of 587.72 g/mol. Its IUPAC name is N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
PubChem CID163411525
Molecular FormulaC44H29NO
Molecular Weight587.72 g/mol
Exact Mass587.22
IUPAC NameN-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3cccc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C44H29NO/c1-2-12-30(13-3-1)32-15-10-16-35(28-32)45(41-21-11-23-43-44(41)39-20-8-9-22-42(39)46-43)34-26-24-31(25-27-34)40-29-33-14-4-5-17-36(33)37-18-6-7-19-38(37)40/h1-29H
InChIKeyRIERJBXJGLPNNL-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'}

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Related Compounds

N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167086573
N-(4-phenanthren-2-ylphenyl)-N-[3-(4-phenanthren-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810721
N-(3-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069616
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(3-phenanthren-2-ylphenyl)dibenzofuran-1-amine
CID 176810349
N-(3-naphthalen-2-ylphenyl)-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 154605759
N-(3-dibenzothiophen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 149256598
N-[3-[3-(N-dibenzofuran-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 167086811
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810710
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 167323696
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605841
N-(3-dibenzofuran-3-ylphenyl)-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737741
N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167397469

Frequently Asked Questions

What is the IUPAC name of N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine (CID 163411525) is N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2cccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3cccc4oc5ccccc5c34)c2)cc1.
What is the InChIKey of N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is RIERJBXJGLPNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NO/c1-2-12-30(13-3-1)32-15-10-16-35(28-32)45(41-21-11-23-43-44(41)39-20-8-9-22-42(39)46-43)34-26-24-31(25-27-34)40-29-33-14-4-5-17-36(33)37-18-6-7-19-38(37)40/h1-29H.
What are the key properties of N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine?
N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine 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 N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 163411525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).