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

C58H39NO — CID 121299017

IUPACN-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)cc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C58H39NO/c1-2-11-40(12-3-1)42-27-33-49(34-28-42)59(51-37-31-46(32-38-51)53-19-9-14-45-13-4-5-17-52(45)53)50-35-29-43(30-36-50)41-23-25-44(26-24-41)47-15-8-16-48(39-47)54-20-10-21-56-55-18-6-7-22-57(55)60-58(54)56/h1-39H
InChIKeyUXAWJEZRLMXCAI-UHFFFAOYSA-N
MW765.96 g/mol
LogP16.54
Rot. Bonds8

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

N-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline (PubChem CID 121299017) has the molecular formula C58H39NO and a molecular weight of 765.96 g/mol. Its IUPAC name is N-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline.

Molecular Properties

Compound NameN-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
PubChem CID121299017
Molecular FormulaC58H39NO
Molecular Weight765.96 g/mol
Exact Mass765.30
IUPAC NameN-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)cc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C58H39NO/c1-2-11-40(12-3-1)42-27-33-49(34-28-42)59(51-37-31-46(32-38-51)53-19-9-14-45-13-4-5-17-52(45)53)50-35-29-43(30-36-50)41-23-25-44(26-24-41)47-15-8-16-48(39-47)54-20-10-21-56-55-18-6-7-22-57(55)60-58(54)56/h1-39H
InChIKeyUXAWJEZRLMXCAI-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-(3-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 126709628
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 157200619
3-N-(4-dibenzofuran-4-ylphenyl)-1-N,5-N-bis(4-naphthalen-1-ylphenyl)-1-N,5-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3,5-triamine
CID 139393698
N-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167235615
2-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 126709649
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-phenylaniline
CID 162494606
3-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 164831619
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-methyl-4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 155119848
2-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 176763153
N-(4-dibenzofuran-4-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 155374400
2,3,5,6-tetradeuterio-N-(4-dibenzofuran-4-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline
CID 171452595

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline?
The IUPAC name of N-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline (CID 121299017) is N-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline.
What is the SMILES notation for N-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline?
The canonical SMILES for N-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)cc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline?
The InChIKey is UXAWJEZRLMXCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO/c1-2-11-40(12-3-1)42-27-33-49(34-28-42)59(51-37-31-46(32-38-51)53-19-9-14-45-13-4-5-17-52(45)53)50-35-29-43(30-36-50)41-23-25-44(26-24-41)47-15-8-16-48(39-47)54-20-10-21-56-55-18-6-7-22-57(55)60-58(54)56/h1-39H.
What are the key properties of N-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline?
N-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-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-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline is sourced from PubChem (CID 121299017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).