N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-3-amine

C60H39NO2 — CID 172502499

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3ccccc3-c3ccccc3N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)oc3ccccc34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C60H39NO2/c1-3-16-40(17-4-1)43-32-36-49(55(38-43)41-18-5-2-6-19-41)47-20-7-8-21-48(47)50-22-9-12-27-56(50)61(45-35-37-53-51-23-10-13-28-57(51)62-59(53)39-45)44-33-30-42(31-34-44)46-25-15-26-54-52-24-11-14-29-58(52)63-60(46)54/h1-39H
InChIKeyHIEIGMWLJVMHHF-UHFFFAOYSA-N
MW805.98 g/mol
LogP17.29
Rot. Bonds8

About N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-3-amine

N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-3-amine (PubChem CID 172502499) has the molecular formula C60H39NO2 and a molecular weight of 805.98 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
PubChem CID172502499
Molecular FormulaC60H39NO2
Molecular Weight805.98 g/mol
Exact Mass805.30
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3ccccc3-c3ccccc3N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)oc3ccccc34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C60H39NO2/c1-3-16-40(17-4-1)43-32-36-49(55(38-43)41-18-5-2-6-19-41)47-20-7-8-21-48(47)50-22-9-12-27-56(50)61(45-35-37-53-51-23-10-13-28-57(51)62-59(53)39-45)44-33-30-42(31-34-44)46-25-15-26-54-52-24-11-14-29-58(52)63-60(46)54/h1-39H
InChIKeyHIEIGMWLJVMHHF-UHFFFAOYSA-N
XLogP17.29
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.98
LogP ≤ 517.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-3-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-4-ylphenyl)-N-[2-[2-(2,5-diphenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172501827
N-dibenzofuran-3-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyldibenzofuran-4-amine
CID 167397866
N-(3-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501323
N-(3-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501677
N-(4-dibenzofuran-3-ylphenyl)-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 172503158
N-phenyl-N-[2-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 172501488
N-(4-dibenzofuran-3-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172502132
N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502629
N-(4-dibenzofuran-4-ylphenyl)-2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 172503073
N-dibenzofuran-1-yl-N-[2-(4-dibenzofuran-4-ylphenyl)-5-phenylphenyl]dibenzofuran-3-amine
CID 176763165
N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397570
N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 172501306

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-3-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-3-amine (CID 172502499) is N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-3-amine is c1ccc(-c2ccc(-c3ccccc3-c3ccccc3N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)oc3ccccc34)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-3-amine?
The InChIKey is HIEIGMWLJVMHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NO2/c1-3-16-40(17-4-1)43-32-36-49(55(38-43)41-18-5-2-6-19-41)47-20-7-8-21-48(47)50-22-9-12-27-56(50)61(45-35-37-53-51-23-10-13-28-57(51)62-59(53)39-45)44-33-30-42(31-34-44)46-25-15-26-54-52-24-11-14-29-58(52)63-60(46)54/h1-39H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-3-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-3-amine has a molecular weight of 805.98 g/mol, XLogP of 17.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 172502499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).