N-naphthalen-1-yl-N-[4-[1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-yl]phenyl]naphthalen-1-amine

C52H33N3O — CID 166975703

IUPACN-naphthalen-1-yl-N-[4-[1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-yl]phenyl]naphthalen-1-amine
SMILESc1ccc(-c2nc3ccccc3nc2-c2ccc(-c3ccc(N(c4cccc5ccccc45)c4cccc5ccccc45)cc3)c3oc4ccccc4c23)cc1
InChIInChI=1S/C52H33N3O/c1-2-16-37(17-3-1)50-51(54-45-24-10-9-23-44(45)53-50)43-33-32-41(52-49(43)42-22-8-11-27-48(42)56-52)36-28-30-38(31-29-36)55(46-25-12-18-34-14-4-6-20-39(34)46)47-26-13-19-35-15-5-7-21-40(35)47/h1-33H
InChIKeyWGBKECQPJVDLSL-UHFFFAOYSA-N
MW715.86 g/mol
LogP14.31
Rot. Bonds6

About N-naphthalen-1-yl-N-[4-[1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-yl]phenyl]naphthalen-1-amine

N-naphthalen-1-yl-N-[4-[1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-yl]phenyl]naphthalen-1-amine (PubChem CID 166975703) has the molecular formula C52H33N3O and a molecular weight of 715.86 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-[4-[1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-yl]phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-[4-[1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-yl]phenyl]naphthalen-1-amine
PubChem CID166975703
Molecular FormulaC52H33N3O
Molecular Weight715.86 g/mol
Exact Mass715.26
IUPAC NameN-naphthalen-1-yl-N-[4-[1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-yl]phenyl]naphthalen-1-amine
SMILESc1ccc(-c2nc3ccccc3nc2-c2ccc(-c3ccc(N(c4cccc5ccccc45)c4cccc5ccccc45)cc3)c3oc4ccccc4c23)cc1
InChIInChI=1S/C52H33N3O/c1-2-16-37(17-3-1)50-51(54-45-24-10-9-23-44(45)53-50)43-33-32-41(52-49(43)42-22-8-11-27-48(42)56-52)36-28-30-38(31-29-36)55(46-25-12-18-34-14-4-6-20-39(34)46)47-26-13-19-35-15-5-7-21-40(35)47/h1-33H
InChIKeyWGBKECQPJVDLSL-UHFFFAOYSA-N
XLogP14.31
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.86
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-naphthalen-2-yl-N-(4-phenylphenyl)-1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-amine
CID 169048372
N-(4-phenylphenyl)-N-[4-[4-(3-phenylquinoxalin-2-yl)dibenzofuran-1-yl]phenyl]naphthalen-2-amine
CID 169048396
N-naphthalen-2-yl-N-phenyl-1-[4-(3-phenylquinoxalin-2-yl)phenyl]dibenzofuran-4-amine
CID 169048415
N-phenanthren-1-yl-4-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820432
N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-1-amine
CID 170676822
N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-1-amine
CID 176820574
N-phenanthren-2-yl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-1-amine
CID 176820936
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59136875
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-4-yl-4-phenyldibenzofuran-1-amine
CID 176821420
N-[4-(4-phenyldibenzofuran-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804010
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 157079303
N-[4-(2,5-diphenylphenyl)phenyl]-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
CID 176820885

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-[4-[1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-yl]phenyl]naphthalen-1-amine?
The IUPAC name of N-naphthalen-1-yl-N-[4-[1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-yl]phenyl]naphthalen-1-amine (CID 166975703) is N-naphthalen-1-yl-N-[4-[1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-yl]phenyl]naphthalen-1-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-[4-[1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-yl]phenyl]naphthalen-1-amine?
The canonical SMILES for N-naphthalen-1-yl-N-[4-[1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-yl]phenyl]naphthalen-1-amine is c1ccc(-c2nc3ccccc3nc2-c2ccc(-c3ccc(N(c4cccc5ccccc45)c4cccc5ccccc45)cc3)c3oc4ccccc4c23)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-[4-[1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-yl]phenyl]naphthalen-1-amine?
The InChIKey is WGBKECQPJVDLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3O/c1-2-16-37(17-3-1)50-51(54-45-24-10-9-23-44(45)53-50)43-33-32-41(52-49(43)42-22-8-11-27-48(42)56-52)36-28-30-38(31-29-36)55(46-25-12-18-34-14-4-6-20-39(34)46)47-26-13-19-35-15-5-7-21-40(35)47/h1-33H.
What are the key properties of N-naphthalen-1-yl-N-[4-[1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-yl]phenyl]naphthalen-1-amine?
N-naphthalen-1-yl-N-[4-[1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-yl]phenyl]naphthalen-1-amine has a molecular weight of 715.86 g/mol, XLogP of 14.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-[4-[1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-yl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 166975703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).