N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3-(4-phenanthren-2-ylphenyl)aniline

C64H41NO — CID 176810219

IUPACN-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3-(4-phenanthren-2-ylphenyl)aniline
SMILESc1cc(-c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)cc(N(c2ccc(-c3cccc4c3ccc3ccccc34)cc2)c2ccc(-c3cccc4oc5ccccc5c34)cc2)c1
InChIInChI=1S/C64H41NO/c1-3-14-54-44(10-1)26-27-50-40-49(33-38-57(50)54)43-24-22-42(23-25-43)48-12-7-13-53(41-48)65(52-36-30-47(31-37-52)58-18-9-21-63-64(58)61-16-5-6-20-62(61)66-63)51-34-28-46(29-35-51)56-17-8-19-59-55-15-4-2-11-45(55)32-39-60(56)59/h1-41H
InChIKeyWHJYPHWRHYJYBQ-UHFFFAOYSA-N
MW840.04 g/mol
LogP18.34
Rot. Bonds7

About N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3-(4-phenanthren-2-ylphenyl)aniline

N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3-(4-phenanthren-2-ylphenyl)aniline (PubChem CID 176810219) has the molecular formula C64H41NO and a molecular weight of 840.04 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3-(4-phenanthren-2-ylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3-(4-phenanthren-2-ylphenyl)aniline
PubChem CID176810219
Molecular FormulaC64H41NO
Molecular Weight840.04 g/mol
Exact Mass839.32
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3-(4-phenanthren-2-ylphenyl)aniline
SMILESc1cc(-c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)cc(N(c2ccc(-c3cccc4c3ccc3ccccc34)cc2)c2ccc(-c3cccc4oc5ccccc5c34)cc2)c1
InChIInChI=1S/C64H41NO/c1-3-14-54-44(10-1)26-27-50-40-49(33-38-57(50)54)43-24-22-42(23-25-43)48-12-7-13-53(41-48)65(52-36-30-47(31-37-52)58-18-9-21-63-64(58)61-16-5-6-20-62(61)66-63)51-34-28-46(29-35-51)56-17-8-19-59-55-15-4-2-11-45(55)32-39-60(56)59/h1-41H
InChIKeyWHJYPHWRHYJYBQ-UHFFFAOYSA-N
XLogP18.34
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.04
LogP ≤ 518.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3-(4-phenanthren-2-ylphenyl)aniline 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-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-(4-phenanthren-1-ylphenyl)aniline
CID 176810245
N-(3-dibenzofuran-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-1-ylphenyl)aniline
CID 176810248
N-(4-dibenzofuran-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 176810252
3-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenanthren-2-ylphenyl)phenyl]aniline
CID 176810726
N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenanthren-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 176810259
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine
CID 170535097
3-dibenzofuran-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenanthren-3-ylphenyl)phenyl]aniline
CID 176810427
3-dibenzofuran-1-yl-N-(3-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-3-ylphenyl)phenyl]aniline
CID 176810276
N-(4-dibenzofuran-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-3-ylphenyl)aniline
CID 176810727
N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenanthren-2-ylphenyl)-N-(4-phenanthren-3-ylphenyl)aniline
CID 176810337
N-(4-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-(4-phenanthren-2-ylphenyl)aniline
CID 176810397
N-(4-naphthalen-1-ylphenyl)-N-[3-(7-phenylphenanthren-2-yl)phenyl]dibenzofuran-3-amine
CID 138743305

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3-(4-phenanthren-2-ylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3-(4-phenanthren-2-ylphenyl)aniline (CID 176810219) is N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3-(4-phenanthren-2-ylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3-(4-phenanthren-2-ylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3-(4-phenanthren-2-ylphenyl)aniline is c1cc(-c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)cc(N(c2ccc(-c3cccc4c3ccc3ccccc34)cc2)c2ccc(-c3cccc4oc5ccccc5c34)cc2)c1.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3-(4-phenanthren-2-ylphenyl)aniline?
The InChIKey is WHJYPHWRHYJYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41NO/c1-3-14-54-44(10-1)26-27-50-40-49(33-38-57(50)54)43-24-22-42(23-25-43)48-12-7-13-53(41-48)65(52-36-30-47(31-37-52)58-18-9-21-63-64(58)61-16-5-6-20-62(61)66-63)51-34-28-46(29-35-51)56-17-8-19-59-55-15-4-2-11-45(55)32-39-60(56)59/h1-41H.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3-(4-phenanthren-2-ylphenyl)aniline?
N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3-(4-phenanthren-2-ylphenyl)aniline has a molecular weight of 840.04 g/mol, XLogP of 18.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3-(4-phenanthren-2-ylphenyl)aniline is sourced from PubChem (CID 176810219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).