N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-5-naphthalen-1-yl-2-phenylaniline

C64H43NO — CID 167235611

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-5-naphthalen-1-yl-2-phenylaniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cc(-c5cccc6ccccc56)ccc4-c4ccccc4)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C64H43NO/c1-4-16-45(17-5-1)56-40-34-50(42-61(56)48-20-8-3-9-21-48)44-30-36-52(37-31-44)65(53-38-32-49(33-39-53)58-27-15-28-60-59-25-12-13-29-63(59)66-64(58)60)62-43-51(35-41-57(62)47-18-6-2-7-19-47)55-26-14-23-46-22-10-11-24-54(46)55/h1-43H
InChIKeyRDOMTIUOVXUQLQ-UHFFFAOYSA-N
MW842.05 g/mol
LogP18.21
Rot. Bonds9

About N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-5-naphthalen-1-yl-2-phenylaniline

N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-5-naphthalen-1-yl-2-phenylaniline (PubChem CID 167235611) has the molecular formula C64H43NO and a molecular weight of 842.05 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-5-naphthalen-1-yl-2-phenylaniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-5-naphthalen-1-yl-2-phenylaniline
PubChem CID167235611
Molecular FormulaC64H43NO
Molecular Weight842.05 g/mol
Exact Mass841.33
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-5-naphthalen-1-yl-2-phenylaniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cc(-c5cccc6ccccc56)ccc4-c4ccccc4)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C64H43NO/c1-4-16-45(17-5-1)56-40-34-50(42-61(56)48-20-8-3-9-21-48)44-30-36-52(37-31-44)65(53-38-32-49(33-39-53)58-27-15-28-60-59-25-12-13-29-63(59)66-64(58)60)62-43-51(35-41-57(62)47-18-6-2-7-19-47)55-26-14-23-46-22-10-11-24-54(46)55/h1-43H
InChIKeyRDOMTIUOVXUQLQ-UHFFFAOYSA-N
XLogP18.21
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.05
LogP ≤ 518.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167235615
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5-phenanthren-9-yl-2-phenylaniline
CID 167234101
3-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 164831619
2-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 126709649
2-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 176763153
N-(4-dibenzofuran-4-ylphenyl)-2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 172503073
N-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 121299017
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 126709628
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-N-[4-[2-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168847695
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168848045
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)-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

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-5-naphthalen-1-yl-2-phenylaniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-5-naphthalen-1-yl-2-phenylaniline (CID 167235611) is N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-5-naphthalen-1-yl-2-phenylaniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-5-naphthalen-1-yl-2-phenylaniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-5-naphthalen-1-yl-2-phenylaniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cc(-c5cccc6ccccc56)ccc4-c4ccccc4)cc3)cc2-c2ccccc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-5-naphthalen-1-yl-2-phenylaniline?
The InChIKey is RDOMTIUOVXUQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43NO/c1-4-16-45(17-5-1)56-40-34-50(42-61(56)48-20-8-3-9-21-48)44-30-36-52(37-31-44)65(53-38-32-49(33-39-53)58-27-15-28-60-59-25-12-13-29-63(59)66-64(58)60)62-43-51(35-41-57(62)47-18-6-2-7-19-47)55-26-14-23-46-22-10-11-24-54(46)55/h1-43H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-5-naphthalen-1-yl-2-phenylaniline?
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-5-naphthalen-1-yl-2-phenylaniline has a molecular weight of 842.05 g/mol, XLogP of 18.21, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-5-naphthalen-1-yl-2-phenylaniline is sourced from PubChem (CID 167235611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).