N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline

C56H35NO2 — CID 174281108

IUPACN-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline
SMILESc1cc(-c2cccc3ccccc23)cc(N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2ccccc2-c2ccc3oc4c5ccccc5ccc4c3c2)c1
InChIInChI=1S/C56H35NO2/c1-3-16-44-37(11-1)13-10-20-45(44)40-14-9-15-43(33-40)57(42-28-23-36(24-29-42)39-26-31-54-50(34-39)48-19-6-8-22-53(48)58-54)52-21-7-5-17-46(52)41-27-32-55-51(35-41)49-30-25-38-12-2-4-18-47(38)56(49)59-55/h1-35H
InChIKeyUKSRFAPYHWZJQJ-UHFFFAOYSA-N
MW753.90 g/mol
LogP16.26
Rot. Bonds6

About N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline

N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline (PubChem CID 174281108) has the molecular formula C56H35NO2 and a molecular weight of 753.90 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline
PubChem CID174281108
Molecular FormulaC56H35NO2
Molecular Weight753.90 g/mol
Exact Mass753.27
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline
SMILESc1cc(-c2cccc3ccccc23)cc(N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2ccccc2-c2ccc3oc4c5ccccc5ccc4c3c2)c1
InChIInChI=1S/C56H35NO2/c1-3-16-44-37(11-1)13-10-20-45(44)40-14-9-15-43(33-40)57(42-28-23-36(24-29-42)39-26-31-54-50(34-39)48-19-6-8-22-53(48)58-54)52-21-7-5-17-46(52)41-27-32-55-51(35-41)49-30-25-38-12-2-4-18-47(38)56(49)59-55/h1-35H
InChIKeyUKSRFAPYHWZJQJ-UHFFFAOYSA-N
XLogP16.26
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.90
LogP ≤ 516.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 174273092
N-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)dibenzofuran-2-amine
CID 174280847
N-[4-(3,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline
CID 174272400
2-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167323911
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
CID 170535179
N-(2-dibenzofuran-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-2-amine
CID 167325738
N-[3-[4-[4-(N-(3-naphthalen-1-ylphenyl)-3-phenylanilino)-3-naphtho[1,2-b][1]benzofuran-8-ylphenyl]phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-1-amine
CID 174272949
N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738128
2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324733
N-(2-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 157465119
N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 155186570
N-(4-dibenzofuran-2-ylphenyl)-2-phenanthren-2-yl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-3-(3-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-3-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenanthren-2-ylphenyl)phenyl]-4-phenylaniline
CID 157300254

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline (CID 174281108) is N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline is c1cc(-c2cccc3ccccc23)cc(N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2ccccc2-c2ccc3oc4c5ccccc5ccc4c3c2)c1.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline?
The InChIKey is UKSRFAPYHWZJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NO2/c1-3-16-44-37(11-1)13-10-20-45(44)40-14-9-15-43(33-40)57(42-28-23-36(24-29-42)39-26-31-54-50(34-39)48-19-6-8-22-53(48)58-54)52-21-7-5-17-46(52)41-27-32-55-51(35-41)49-30-25-38-12-2-4-18-47(38)56(49)59-55/h1-35H.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline?
N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline has a molecular weight of 753.90 g/mol, XLogP of 16.26, 6 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-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline is sourced from PubChem (CID 174281108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).