N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline

C58H39NO — CID 176765087

IUPACN-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c(-c4ccccc4)cc4oc6ccccc6c45)cc3)c3ccccc3-c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C58H39NO/c1-4-16-40(17-5-1)41-28-33-46(34-29-41)59(55-26-14-12-24-50(55)49-23-11-10-22-48(49)43-18-6-2-7-19-43)47-35-30-42(31-36-47)45-32-37-51-54(38-45)53(44-20-8-3-9-21-44)39-57-58(51)52-25-13-15-27-56(52)60-57/h1-39H
InChIKeyVUBQTANUOKQIRY-UHFFFAOYSA-N
MW765.96 g/mol
LogP16.54
Rot. Bonds8

About N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline

N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline (PubChem CID 176765087) has the molecular formula C58H39NO and a molecular weight of 765.96 g/mol. Its IUPAC name is N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
PubChem CID176765087
Molecular FormulaC58H39NO
Molecular Weight765.96 g/mol
Exact Mass765.30
IUPAC NameN-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c(-c4ccccc4)cc4oc6ccccc6c45)cc3)c3ccccc3-c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C58H39NO/c1-4-16-40(17-5-1)41-28-33-46(34-29-41)59(55-26-14-12-24-50(55)49-23-11-10-22-48(49)43-18-6-2-7-19-43)47-35-30-42(31-36-47)45-32-37-51-54(38-45)53(44-20-8-3-9-21-44)39-57-58(51)52-25-13-15-27-56(52)60-57/h1-39H
InChIKeyVUBQTANUOKQIRY-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

Analyze N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

N-dibenzofuran-1-yl-5-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-3-amine
CID 176765019
N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 172501306
2-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-N,N-bis(4-phenylphenyl)aniline
CID 170301670
N-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]naphthalen-1-amine
CID 176765298
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172502866
N,3,5-triphenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]aniline
CID 176765163
N-(4-dibenzofuran-1-ylphenyl)-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503032
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 138651234
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172502312
N-dibenzofuran-1-yl-N-(4-phenanthren-3-ylphenyl)-5-phenylnaphtho[2,1-b][1]benzofuran-3-amine
CID 176765441
N-phenyl-N-[2-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 172501488
N-(4-dibenzofuran-3-ylphenyl)-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 172503158

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline (CID 176765087) is N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c(-c4ccccc4)cc4oc6ccccc6c45)cc3)c3ccccc3-c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline?
The InChIKey is VUBQTANUOKQIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO/c1-4-16-40(17-5-1)41-28-33-46(34-29-41)59(55-26-14-12-24-50(55)49-23-11-10-22-48(49)43-18-6-2-7-19-43)47-35-30-42(31-36-47)45-32-37-51-54(38-45)53(44-20-8-3-9-21-44)39-57-58(51)52-25-13-15-27-56(52)60-57/h1-39H.
What are the key properties of N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline?
N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline 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-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 176765087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).