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

C52H33NO2 — CID 171434660

IUPACN-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3oc4ccccc4c23)cc1
InChIInChI=1S/C52H33NO2/c1-2-11-37(12-3-1)43-30-31-47(52-51(43)46-15-7-9-17-49(46)55-52)53(41-25-20-35(21-26-41)39-19-18-34-10-4-5-13-38(34)32-39)42-27-22-36(23-28-42)40-24-29-45-44-14-6-8-16-48(44)54-50(45)33-40/h1-33H
InChIKeyYLZKCXHWUKUPRJ-UHFFFAOYSA-N
MW703.84 g/mol
LogP15.11
Rot. Bonds6

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

N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzofuran-4-amine (PubChem CID 171434660) has the molecular formula C52H33NO2 and a molecular weight of 703.84 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzofuran-4-amine
PubChem CID171434660
Molecular FormulaC52H33NO2
Molecular Weight703.84 g/mol
Exact Mass703.25
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3oc4ccccc4c23)cc1
InChIInChI=1S/C52H33NO2/c1-2-11-37(12-3-1)43-30-31-47(52-51(43)46-15-7-9-17-49(46)55-52)53(41-25-20-35(21-26-41)39-19-18-34-10-4-5-13-38(34)32-39)42-27-22-36(23-28-42)40-24-29-45-44-14-6-8-16-48(44)54-50(45)33-40/h1-33H
InChIKeyYLZKCXHWUKUPRJ-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

N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-yl-1-phenyldibenzofuran-4-amine
CID 171434822
N,N-bis(4-dibenzofuran-3-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 171434862
N-(4-dibenzofuran-2-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 171434963
N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170301545
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 171435415
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069839
N-(4-dibenzofuran-3-ylphenyl)-N-phenanthren-2-yl-4-phenyldibenzofuran-1-amine
CID 176820992
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-2-(2-phenylphenyl)aniline
CID 166565866
N-dibenzofuran-2-yl-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171435497
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-2-phenylaniline
CID 166565627
N-(4-dibenzothiophen-3-ylphenyl)-1-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 171435491
N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine
CID 176820471

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzofuran-4-amine?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzofuran-4-amine (CID 171434660) is N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzofuran-4-amine.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzofuran-4-amine?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzofuran-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3oc4ccccc4c23)cc1.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzofuran-4-amine?
The InChIKey is YLZKCXHWUKUPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO2/c1-2-11-37(12-3-1)43-30-31-47(52-51(43)46-15-7-9-17-49(46)55-52)53(41-25-20-35(21-26-41)39-19-18-34-10-4-5-13-38(34)32-39)42-27-22-36(23-28-42)40-24-29-45-44-14-6-8-16-48(44)54-50(45)33-40/h1-33H.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzofuran-4-amine?
N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzofuran-4-amine 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 N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzofuran-4-amine is sourced from PubChem (CID 171434660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).