N-[4-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine

C58H37NO2 — CID 121450043

IUPACN-[4-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc(-c4cc(-c5ccc6c(c5)oc5ccccc56)cc(-c5ccc6c(c5)oc5ccccc56)c4)cc3)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C58H37NO2/c1-2-12-48(13-3-1)59(50-29-24-38-10-4-5-11-42(38)35-50)49-27-22-40(23-28-49)39-18-20-41(21-19-39)45-32-46(43-25-30-53-51-14-6-8-16-55(51)60-57(53)36-43)34-47(33-45)44-26-31-54-52-15-7-9-17-56(52)61-58(54)37-44/h1-37H
InChIKeySXQGCKQBPWZNSI-UHFFFAOYSA-N
MW779.94 g/mol
LogP16.78
Rot. Bonds7

About N-[4-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine

N-[4-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 121450043) has the molecular formula C58H37NO2 and a molecular weight of 779.94 g/mol. Its IUPAC name is N-[4-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
PubChem CID121450043
Molecular FormulaC58H37NO2
Molecular Weight779.94 g/mol
Exact Mass779.28
IUPAC NameN-[4-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc(-c4cc(-c5ccc6c(c5)oc5ccccc56)cc(-c5ccc6c(c5)oc5ccccc56)c4)cc3)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C58H37NO2/c1-2-12-48(13-3-1)59(50-29-24-38-10-4-5-11-42(38)35-50)49-27-22-40(23-28-49)39-18-20-41(21-19-39)45-32-46(43-25-30-53-51-14-6-8-16-55(51)60-57(53)36-43)34-47(33-45)44-26-31-54-52-15-7-9-17-56(52)61-58(54)37-44/h1-37H
InChIKeySXQGCKQBPWZNSI-UHFFFAOYSA-N
XLogP16.78
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.94
LogP ≤ 516.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;3-[3-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 158904441
N-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine
CID 122533769
N-(4-dibenzofuran-3-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline
CID 166974853
N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline
CID 167323705
N-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenyldibenzofuran-3-amine
CID 174256551
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 167324119
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324392
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-2-N,2-N-diphenyldibenzofuran-2,8-diamine
CID 146576029
N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,3-diphenylaniline;N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161375277
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 166565962
4-[3-(4-anilinophenyl)-5-phenylphenyl]-N-phenylaniline;N-[4-[3-(4-anilinophenyl)-5-phenylphenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[3-[4-(N-naphthalen-2-ylanilino)phenyl]-5-phenylphenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 157486265

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[4-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine (CID 121450043) is N-[4-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[4-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[4-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine is c1ccc(N(c2ccc(-c3ccc(-c4cc(-c5ccc6c(c5)oc5ccccc56)cc(-c5ccc6c(c5)oc5ccccc56)c4)cc3)cc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[4-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is SXQGCKQBPWZNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO2/c1-2-12-48(13-3-1)59(50-29-24-38-10-4-5-11-42(38)35-50)49-27-22-40(23-28-49)39-18-20-41(21-19-39)45-32-46(43-25-30-53-51-14-6-8-16-55(51)60-57(53)36-43)34-47(33-45)44-26-31-54-52-15-7-9-17-56(52)61-58(54)37-44/h1-37H.
What are the key properties of N-[4-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
N-[4-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 779.94 g/mol, XLogP of 16.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 121450043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).