2-dibenzofuran-3-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline

C52H33NO2 — CID 167324538

IUPAC2-dibenzofuran-3-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
SMILESc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3cccc4oc5ccccc5c34)cc2)c(-c2ccc3c(c2)oc2ccccc23)c1
InChIInChI=1S/C52H33NO2/c1-2-13-40-34(11-1)12-9-17-41(40)35-23-28-38(29-24-35)53(39-30-25-36(26-31-39)43-18-10-22-50-52(43)46-16-5-8-21-49(46)54-50)47-19-6-3-14-42(47)37-27-32-45-44-15-4-7-20-48(44)55-51(45)33-37/h1-33H
InChIKeyCHHHXCNWBGTMQX-UHFFFAOYSA-N
MW703.84 g/mol
LogP15.11
Rot. Bonds6

About 2-dibenzofuran-3-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline

2-dibenzofuran-3-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline (PubChem CID 167324538) has the molecular formula C52H33NO2 and a molecular weight of 703.84 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
PubChem CID167324538
Molecular FormulaC52H33NO2
Molecular Weight703.84 g/mol
Exact Mass703.25
IUPAC Name2-dibenzofuran-3-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
SMILESc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3cccc4oc5ccccc5c34)cc2)c(-c2ccc3c(c2)oc2ccccc23)c1
InChIInChI=1S/C52H33NO2/c1-2-13-40-34(11-1)12-9-17-41(40)35-23-28-38(29-24-35)53(39-30-25-36(26-31-39)43-18-10-22-50-52(43)46-16-5-8-21-49(46)54-50)47-19-6-3-14-42(47)37-27-32-45-44-15-4-7-20-48(44)55-51(45)33-37/h1-33H
InChIKeyCHHHXCNWBGTMQX-UHFFFAOYSA-N
XLogP15.11
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.84
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-dibenzofuran-3-yl-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326205
N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenanthren-2-ylaniline
CID 170541993
N-(4-dibenzofuran-1-ylphenyl)-2-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 170541911
N-(2-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 167326199
2-dibenzofuran-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324805
N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(4-phenanthren-2-ylphenyl)aniline
CID 176810686
N-(4-dibenzofuran-1-ylphenyl)-N-(3-phenanthren-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)aniline
CID 176810481
N-(4-dibenzofuran-1-ylphenyl)-2-naphthalen-2-yl-N-[4-(4-phenanthren-1-ylphenyl)phenyl]aniline
CID 176810230
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenanthren-1-ylaniline
CID 176810443
N-(4-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 167234839
2-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325381
N-(4-dibenzofuran-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 176810603

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of 2-dibenzofuran-3-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline (CID 167324538) is 2-dibenzofuran-3-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for 2-dibenzofuran-3-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for 2-dibenzofuran-3-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline is c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3cccc4oc5ccccc5c34)cc2)c(-c2ccc3c(c2)oc2ccccc23)c1.
What is the InChIKey of 2-dibenzofuran-3-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline?
The InChIKey is CHHHXCNWBGTMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO2/c1-2-13-40-34(11-1)12-9-17-41(40)35-23-28-38(29-24-35)53(39-30-25-36(26-31-39)43-18-10-22-50-52(43)46-16-5-8-21-49(46)54-50)47-19-6-3-14-42(47)37-27-32-45-44-15-4-7-20-48(44)55-51(45)33-37/h1-33H.
What are the key properties of 2-dibenzofuran-3-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline?
2-dibenzofuran-3-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline has a molecular weight of 703.84 g/mol, XLogP of 15.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 167324538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).