N-(4-dibenzofuran-1-ylphenyl)-1-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine

C52H33NO2 — CID 171434890

IUPACN-(4-dibenzofuran-1-ylphenyl)-1-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc(-c4ccccc4)c4c3oc3ccccc34)c3ccccc23)cc1
InChIInChI=1S/C52H33NO2/c1-3-14-34(15-4-1)38-30-32-45(42-19-8-7-18-41(38)42)53(37-28-26-36(27-29-37)39-22-13-25-49-50(39)43-20-9-11-23-47(43)54-49)46-33-31-40(35-16-5-2-6-17-35)51-44-21-10-12-24-48(44)55-52(46)51/h1-33H
InChIKeyJYWFZEPVCRPLMK-UHFFFAOYSA-N
MW703.84 g/mol
LogP15.11
Rot. Bonds6

About N-(4-dibenzofuran-1-ylphenyl)-1-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine

N-(4-dibenzofuran-1-ylphenyl)-1-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine (PubChem CID 171434890) has the molecular formula C52H33NO2 and a molecular weight of 703.84 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-1-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-1-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine
PubChem CID171434890
Molecular FormulaC52H33NO2
Molecular Weight703.84 g/mol
Exact Mass703.25
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-1-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc(-c4ccccc4)c4c3oc3ccccc34)c3ccccc23)cc1
InChIInChI=1S/C52H33NO2/c1-3-14-34(15-4-1)38-30-32-45(42-19-8-7-18-41(38)42)53(37-28-26-36(27-29-37)39-22-13-25-49-50(39)43-20-9-11-23-47(43)54-49)46-33-31-40(35-16-5-2-6-17-35)51-44-21-10-12-24-48(44)55-52(46)51/h1-33H
InChIKeyJYWFZEPVCRPLMK-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-4-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 171435159
N-dibenzofuran-4-yl-N-(4-dibenzofuran-1-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397006
N-(4-dibenzofuran-2-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 171434963
N,N-bis(4-dibenzofuran-3-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 171434862
1-dibenzofuran-4-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 153447940
N-dibenzofuran-2-yl-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171435497
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312036
N-phenanthren-3-yl-N-(4-phenanthren-1-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 168809808
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186868
4-(2-dibenzofuran-1-ylphenyl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176824526
N-dibenzofuran-4-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 171435515
N-dibenzofuran-4-yl-N,7-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423986

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-1-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-1-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine (CID 171434890) is N-(4-dibenzofuran-1-ylphenyl)-1-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-1-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-1-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc(-c4ccccc4)c4c3oc3ccccc34)c3ccccc23)cc1.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-1-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine?
The InChIKey is JYWFZEPVCRPLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO2/c1-3-14-34(15-4-1)38-30-32-45(42-19-8-7-18-41(38)42)53(37-28-26-36(27-29-37)39-22-13-25-49-50(39)43-20-9-11-23-47(43)54-49)46-33-31-40(35-16-5-2-6-17-35)51-44-21-10-12-24-48(44)55-52(46)51/h1-33H.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-1-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine?
N-(4-dibenzofuran-1-ylphenyl)-1-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-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-1-ylphenyl)-1-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine is sourced from PubChem (CID 171434890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).