2-(1,9b-dihydrodibenzofuran-4-yl)-N-(2-dibenzofuran-4-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

C58H39NO2 — CID 170300280

IUPAC2-(1,9b-dihydrodibenzofuran-4-yl)-N-(2-dibenzofuran-4-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESC1=CC(c2ccccc2N(c2ccccc2-c2cccc3c2oc2ccccc23)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)=C2Oc3ccccc3C2C1
InChIInChI=1S/C58H39NO2/c1-2-18-38(19-3-1)40-27-14-20-39-21-15-28-46(56(39)40)41-22-4-9-33-51(41)59(52-34-10-5-23-42(52)47-29-16-31-49-44-25-7-12-36-54(44)60-57(47)49)53-35-11-6-24-43(53)48-30-17-32-50-45-26-8-13-37-55(45)61-58(48)50/h1-31,33-37,50H,32H2
InChIKeyPURQLDWOVXFGAX-UHFFFAOYSA-N
MW781.96 g/mol
LogP16.06
Rot. Bonds7

About 2-(1,9b-dihydrodibenzofuran-4-yl)-N-(2-dibenzofuran-4-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

2-(1,9b-dihydrodibenzofuran-4-yl)-N-(2-dibenzofuran-4-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 170300280) has the molecular formula C58H39NO2 and a molecular weight of 781.96 g/mol. Its IUPAC name is 2-(1,9b-dihydrodibenzofuran-4-yl)-N-(2-dibenzofuran-4-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

Compound Name2-(1,9b-dihydrodibenzofuran-4-yl)-N-(2-dibenzofuran-4-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
PubChem CID170300280
Molecular FormulaC58H39NO2
Molecular Weight781.96 g/mol
Exact Mass781.30
IUPAC Name2-(1,9b-dihydrodibenzofuran-4-yl)-N-(2-dibenzofuran-4-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESC1=CC(c2ccccc2N(c2ccccc2-c2cccc3c2oc2ccccc23)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)=C2Oc3ccccc3C2C1
InChIInChI=1S/C58H39NO2/c1-2-18-38(19-3-1)40-27-14-20-39-21-15-28-46(56(39)40)41-22-4-9-33-51(41)59(52-34-10-5-23-42(52)47-29-16-31-49-44-25-7-12-36-54(44)60-57(47)49)53-35-11-6-24-43(53)48-30-17-32-50-45-26-8-13-37-55(45)61-58(48)50/h1-31,33-37,50H,32H2
InChIKeyPURQLDWOVXFGAX-UHFFFAOYSA-N
XLogP16.06
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.96
LogP ≤ 516.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
CID 130390524
N-(4-dibenzofuran-4-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-4-amine
CID 170300460
N-(4-dibenzofuran-4-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)-7,8-dihydronaphthalen-1-yl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170302011
N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298442
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170300451
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)aniline
CID 170300560
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)naphthalen-2-amine
CID 170300885
N-(4-dibenzofuran-2-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170294764
N-[4-(8-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-naphthalen-1-yl-N-phenylnaphthalen-1-amine
CID 166589590
N-(3-dibenzofuran-2-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine
CID 170300509
N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 170294786
N-(2-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
CID 167413071

Frequently Asked Questions

What is the IUPAC name of 2-(1,9b-dihydrodibenzofuran-4-yl)-N-(2-dibenzofuran-4-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The IUPAC name of 2-(1,9b-dihydrodibenzofuran-4-yl)-N-(2-dibenzofuran-4-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (CID 170300280) is 2-(1,9b-dihydrodibenzofuran-4-yl)-N-(2-dibenzofuran-4-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.
What is the SMILES notation for 2-(1,9b-dihydrodibenzofuran-4-yl)-N-(2-dibenzofuran-4-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The canonical SMILES for 2-(1,9b-dihydrodibenzofuran-4-yl)-N-(2-dibenzofuran-4-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is C1=CC(c2ccccc2N(c2ccccc2-c2cccc3c2oc2ccccc23)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)=C2Oc3ccccc3C2C1.
What is the InChIKey of 2-(1,9b-dihydrodibenzofuran-4-yl)-N-(2-dibenzofuran-4-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The InChIKey is PURQLDWOVXFGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO2/c1-2-18-38(19-3-1)40-27-14-20-39-21-15-28-46(56(39)40)41-22-4-9-33-51(41)59(52-34-10-5-23-42(52)47-29-16-31-49-44-25-7-12-36-54(44)60-57(47)49)53-35-11-6-24-43(53)48-30-17-32-50-45-26-8-13-37-55(45)61-58(48)50/h1-31,33-37,50H,32H2.
What are the key properties of 2-(1,9b-dihydrodibenzofuran-4-yl)-N-(2-dibenzofuran-4-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
2-(1,9b-dihydrodibenzofuran-4-yl)-N-(2-dibenzofuran-4-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 781.96 g/mol, XLogP of 16.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,9b-dihydrodibenzofuran-4-yl)-N-(2-dibenzofuran-4-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 170300280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).