N-(4-dibenzofuran-3-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline

C40H27NO — CID 166974853

IUPACN-(4-dibenzofuran-3-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C40H27NO/c1-2-10-34(11-3-1)41(35-21-16-29(17-22-35)32-15-14-28-8-4-5-9-31(28)26-32)36-23-18-30(19-24-36)33-20-25-38-37-12-6-7-13-39(37)42-40(38)27-33/h1-27H
InChIKeyHJIKGAHYTVGCBW-UHFFFAOYSA-N
MW537.66 g/mol
LogP11.54
Rot. Bonds5

About N-(4-dibenzofuran-3-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline

N-(4-dibenzofuran-3-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline (PubChem CID 166974853) has the molecular formula C40H27NO and a molecular weight of 537.66 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline
PubChem CID166974853
Molecular FormulaC40H27NO
Molecular Weight537.66 g/mol
Exact Mass537.21
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C40H27NO/c1-2-10-34(11-3-1)41(35-21-16-29(17-22-35)32-15-14-28-8-4-5-9-31(28)26-32)36-23-18-30(19-24-36)33-20-25-38-37-12-6-7-13-39(37)42-40(38)27-33/h1-27H
InChIKeyHJIKGAHYTVGCBW-UHFFFAOYSA-N
XLogP11.54
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.66
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324392
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 167324119
N-[4-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121450043
N-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine
CID 122533769
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-2-N,2-N-diphenyldibenzofuran-2,8-diamine
CID 146576029
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline
CID 167323705
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-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenyldibenzofuran-3-amine
CID 174256551
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 166565962
N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 167086989
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 121325434

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline (CID 166974853) is N-(4-dibenzofuran-3-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline is c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline?
The InChIKey is HJIKGAHYTVGCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NO/c1-2-10-34(11-3-1)41(35-21-16-29(17-22-35)32-15-14-28-8-4-5-9-31(28)26-32)36-23-18-30(19-24-36)33-20-25-38-37-12-6-7-13-39(37)42-40(38)27-33/h1-27H.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline?
N-(4-dibenzofuran-3-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline has a molecular weight of 537.66 g/mol, XLogP of 11.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-3-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline is sourced from PubChem (CID 166974853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).