N-(3-dibenzofuran-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-1-amine

C56H35NO2 — CID 155304502

IUPACN-(3-dibenzofuran-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3c(N(c4cccc(-c5cccc6oc7ccccc7c56)c4)c4cccc5oc6ccccc6c45)c4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C56H35NO2/c1-2-15-36(16-3-1)37-31-33-38(34-32-37)53-44-21-6-4-19-42(44)43-20-5-7-22-45(43)56(53)57(48-26-14-30-52-55(48)47-24-9-11-28-50(47)59-52)40-18-12-17-39(35-40)41-25-13-29-51-54(41)46-23-8-10-27-49(46)58-51/h1-35H
InChIKeyONMZRKCPIMHAOT-UHFFFAOYSA-N
MW753.90 g/mol
LogP16.26
Rot. Bonds6

About N-(3-dibenzofuran-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-1-amine

N-(3-dibenzofuran-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-1-amine (PubChem CID 155304502) has the molecular formula C56H35NO2 and a molecular weight of 753.90 g/mol. Its IUPAC name is N-(3-dibenzofuran-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-1-amine
PubChem CID155304502
Molecular FormulaC56H35NO2
Molecular Weight753.90 g/mol
Exact Mass753.27
IUPAC NameN-(3-dibenzofuran-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3c(N(c4cccc(-c5cccc6oc7ccccc7c56)c4)c4cccc5oc6ccccc6c45)c4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C56H35NO2/c1-2-15-36(16-3-1)37-31-33-38(34-32-37)53-44-21-6-4-19-42(44)43-20-5-7-22-45(43)56(53)57(48-26-14-30-52-55(48)47-24-9-11-28-50(47)59-52)40-18-12-17-39(35-40)41-25-13-29-51-54(41)46-23-8-10-27-49(46)58-51/h1-35H
InChIKeyONMZRKCPIMHAOT-UHFFFAOYSA-N
XLogP16.26
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.90
LogP ≤ 516.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-dibenzofuran-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-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-(4-dibenzofuran-1-ylphenyl)-N-(10-phenylphenanthren-9-yl)dibenzofuran-1-amine
CID 155304231
N-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine
CID 155304965
N-(3-dibenzothiophen-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-4-amine
CID 155303419
2-[3-(N-(4-dibenzofuran-1-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167087132
N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-2-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline
CID 167086977
N-(4-dibenzofuran-1-ylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-2-amine
CID 169063199
N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167086573
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186868
3-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline
CID 170535007
N-[3-[3-(N-dibenzofuran-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 167086811
2-N,6-N-di(dibenzofuran-1-yl)-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 89254671
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)chrysen-1-amine
CID 170137895

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-1-amine?
The IUPAC name of N-(3-dibenzofuran-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-1-amine (CID 155304502) is N-(3-dibenzofuran-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-1-amine.
What is the SMILES notation for N-(3-dibenzofuran-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-1-amine?
The canonical SMILES for N-(3-dibenzofuran-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-1-amine is c1ccc(-c2ccc(-c3c(N(c4cccc(-c5cccc6oc7ccccc7c56)c4)c4cccc5oc6ccccc6c45)c4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of N-(3-dibenzofuran-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-1-amine?
The InChIKey is ONMZRKCPIMHAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NO2/c1-2-15-36(16-3-1)37-31-33-38(34-32-37)53-44-21-6-4-19-42(44)43-20-5-7-22-45(43)56(53)57(48-26-14-30-52-55(48)47-24-9-11-28-50(47)59-52)40-18-12-17-39(35-40)41-25-13-29-51-54(41)46-23-8-10-27-49(46)58-51/h1-35H.
What are the key properties of N-(3-dibenzofuran-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-1-amine?
N-(3-dibenzofuran-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-1-amine has a molecular weight of 753.90 g/mol, XLogP of 16.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-1-amine is sourced from PubChem (CID 155304502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).