N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline

C58H39NO — CID 166566303

IUPACN-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cccc(-c6ccc7ccccc7c6)c5)c4)cc3)c3ccc(-c4cccc5oc6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C58H39NO/c1-2-11-40(12-3-1)42-25-31-51(32-26-42)59(53-35-29-44(30-36-53)54-20-10-22-57-58(54)55-19-6-7-21-56(55)60-57)52-33-27-43(28-34-52)46-15-8-16-47(37-46)48-17-9-18-49(39-48)50-24-23-41-13-4-5-14-45(41)38-50/h1-39H
InChIKeyBVKDZFGPGXJJSD-UHFFFAOYSA-N
MW765.96 g/mol
LogP16.54
Rot. Bonds8

About N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline

N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline (PubChem CID 166566303) has the molecular formula C58H39NO and a molecular weight of 765.96 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
PubChem CID166566303
Molecular FormulaC58H39NO
Molecular Weight765.96 g/mol
Exact Mass765.30
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cccc(-c6ccc7ccccc7c6)c5)c4)cc3)c3ccc(-c4cccc5oc6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C58H39NO/c1-2-11-40(12-3-1)42-25-31-51(32-26-42)59(53-35-29-44(30-36-53)54-20-10-22-57-58(54)55-19-6-7-21-56(55)60-57)52-33-27-43(28-34-52)46-15-8-16-47(37-46)48-17-9-18-49(39-48)50-24-23-41-13-4-5-14-45(41)38-50/h1-39H
InChIKeyBVKDZFGPGXJJSD-UHFFFAOYSA-N
XLogP16.54
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.96
LogP ≤ 516.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenylaniline
CID 166565631
N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 166566033
N-(3-dibenzofuran-1-ylphenyl)-N,3-bis(4-naphthalen-2-ylphenyl)aniline
CID 176810568
N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-(4-phenanthren-3-ylphenyl)aniline
CID 176810722
N-(4-dibenzofuran-2-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166566167
N-(4-dibenzofuran-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 176810252
N-(4-dibenzofuran-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-3-ylphenyl)aniline
CID 176810727
4-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167331254
N-(3-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3-(4-naphthalen-1-ylphenyl)aniline
CID 176810163
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312036
3-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline
CID 170535007
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 170535022

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline (CID 166566303) is N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cccc(-c6ccc7ccccc7c6)c5)c4)cc3)c3ccc(-c4cccc5oc6ccccc6c45)cc3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline?
The InChIKey is BVKDZFGPGXJJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO/c1-2-11-40(12-3-1)42-25-31-51(32-26-42)59(53-35-29-44(30-36-53)54-20-10-22-57-58(54)55-19-6-7-21-56(55)60-57)52-33-27-43(28-34-52)46-15-8-16-47(37-46)48-17-9-18-49(39-48)50-24-23-41-13-4-5-14-45(41)38-50/h1-39H.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline?
N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline has a molecular weight of 765.96 g/mol, XLogP of 16.54, 8 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-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline is sourced from PubChem (CID 166566303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).