N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine

C40H25NO2 — CID 129085231

IUPACN-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
SMILESc1ccc2c(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4c(c3)oc3ccccc34)cccc2c1
InChIInChI=1S/C40H25NO2/c1-2-10-31-27(8-1)9-7-13-36(31)41(30-21-22-34-32-11-3-5-14-37(32)43-40(34)25-30)29-19-16-26(17-20-29)28-18-23-39-35(24-28)33-12-4-6-15-38(33)42-39/h1-25H
InChIKeyHHOWZXARDYVSCW-UHFFFAOYSA-N
MW551.65 g/mol
LogP11.78
Rot. Bonds4

About N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine

N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine (PubChem CID 129085231) has the molecular formula C40H25NO2 and a molecular weight of 551.65 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
PubChem CID129085231
Molecular FormulaC40H25NO2
Molecular Weight551.65 g/mol
Exact Mass551.19
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
SMILESc1ccc2c(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4c(c3)oc3ccccc34)cccc2c1
InChIInChI=1S/C40H25NO2/c1-2-10-31-27(8-1)9-7-13-36(31)41(30-21-22-34-32-11-3-5-14-37(32)43-40(34)25-30)29-19-16-26(17-20-29)28-18-23-39-35(24-28)33-12-4-6-15-38(33)42-39/h1-25H
InChIKeyHHOWZXARDYVSCW-UHFFFAOYSA-N
XLogP11.78
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 511.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-tris(4-phenylphenyl)benzene-1,3,5-triamine
CID 118604922
N-[4-[8-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzofuran-2-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 130438409
8-N,22-N-di(dibenzofuran-3-yl)-8-N,22-N-dinaphthalen-1-yl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 165046375
N-phenyl-N-[3-(8-phenyldibenzofuran-2-yl)phenyl]naphthalen-1-amine
CID 121296588
N-[4-[2-[4-[4-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 76808524
N-naphthalen-1-yl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran-3-amine
CID 174256131
N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157368464
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 166566331
N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]phenyl]-N-phenyldibenzofuran-2-amine;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 165024004
4-[3,5-di(dibenzofuran-2-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 160762815
N-(2-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 167326199
N-naphthalen-1-yl-N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzofuran-2-amine
CID 174256439

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine (CID 129085231) is N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine is c1ccc2c(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4c(c3)oc3ccccc34)cccc2c1.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine?
The InChIKey is HHOWZXARDYVSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NO2/c1-2-10-31-27(8-1)9-7-13-36(31)41(30-21-22-34-32-11-3-5-14-37(32)43-40(34)25-30)29-19-16-26(17-20-29)28-18-23-39-35(24-28)33-12-4-6-15-38(33)42-39/h1-25H.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine?
N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine has a molecular weight of 551.65 g/mol, XLogP of 11.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine is sourced from PubChem (CID 129085231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).