N-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine

C54H33NO2 — CID 155304965

IUPACN-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine
SMILESc1cc(-c2cccc3c2oc2ccccc23)cc(N(c2c(-c3ccc4ccccc4c3)c3ccccc3c3ccccc23)c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C54H33NO2/c1-2-15-35-32-37(31-30-34(35)14-1)51-43-21-5-3-18-40(43)41-19-4-6-22-44(41)53(51)55(47-26-13-29-50-52(47)46-23-8-10-28-49(46)56-50)38-17-11-16-36(33-38)39-24-12-25-45-42-20-7-9-27-48(42)57-54(39)45/h1-33H
InChIKeyJOJWQDBUAPFTIB-UHFFFAOYSA-N
MW727.86 g/mol
LogP15.75
Rot. Bonds5

About N-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine

N-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine (PubChem CID 155304965) has the molecular formula C54H33NO2 and a molecular weight of 727.86 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine
PubChem CID155304965
Molecular FormulaC54H33NO2
Molecular Weight727.86 g/mol
Exact Mass727.25
IUPAC NameN-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine
SMILESc1cc(-c2cccc3c2oc2ccccc23)cc(N(c2c(-c3ccc4ccccc4c3)c3ccccc3c3ccccc23)c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C54H33NO2/c1-2-15-35-32-37(31-30-34(35)14-1)51-43-21-5-3-18-40(43)41-19-4-6-22-44(41)53(51)55(47-26-13-29-50-52(47)46-23-8-10-28-49(46)56-50)38-17-11-16-36(33-38)39-24-12-25-45-42-20-7-9-27-48(42)57-54(39)45/h1-33H
InChIKeyJOJWQDBUAPFTIB-UHFFFAOYSA-N
XLogP15.75
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.86
LogP ≤ 515.75
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-4-ylphenyl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-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-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186908
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186610
N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-10-naphthalen-1-ylphenanthren-9-amine
CID 155305510
N-(3-dibenzofuran-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-1-amine
CID 155304502
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186611
N-(2-dibenzofuran-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186614
2-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326067
2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326166
N-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-amine
CID 155303930
N-dibenzofuran-4-yl-12-naphthalen-2-yl-N-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine
CID 161006635
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374301
N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]naphthalen-2-amine
CID 169063678

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine?
The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine (CID 155304965) is N-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine?
The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine is c1cc(-c2cccc3c2oc2ccccc23)cc(N(c2c(-c3ccc4ccccc4c3)c3ccccc3c3ccccc23)c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine?
The InChIKey is JOJWQDBUAPFTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NO2/c1-2-15-35-32-37(31-30-34(35)14-1)51-43-21-5-3-18-40(43)41-19-4-6-22-44(41)53(51)55(47-26-13-29-50-52(47)46-23-8-10-28-49(46)56-50)38-17-11-16-36(33-38)39-24-12-25-45-42-20-7-9-27-48(42)57-54(39)45/h1-33H.
What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine?
N-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine has a molecular weight of 727.86 g/mol, XLogP of 15.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine is sourced from PubChem (CID 155304965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).