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

C54H35N3O — CID 169048396

IUPACN-(4-phenylphenyl)-N-[4-[4-(3-phenylquinoxalin-2-yl)dibenzofuran-1-yl]phenyl]naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5nc6ccccc6nc5-c5ccccc5)c5oc6ccccc6c45)cc3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C54H35N3O/c1-3-13-36(14-4-1)38-23-28-42(29-24-38)57(44-32-25-37-15-7-8-18-41(37)35-44)43-30-26-39(27-31-43)45-33-34-47(54-51(45)46-19-9-12-22-50(46)58-54)53-52(40-16-5-2-6-17-40)55-48-20-10-11-21-49(48)56-53/h1-35H
InChIKeyYVXDKDLWMZVGSC-UHFFFAOYSA-N
MW741.89 g/mol
LogP14.82
Rot. Bonds7

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

N-(4-phenylphenyl)-N-[4-[4-(3-phenylquinoxalin-2-yl)dibenzofuran-1-yl]phenyl]naphthalen-2-amine (PubChem CID 169048396) has the molecular formula C54H35N3O and a molecular weight of 741.89 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[4-[4-(3-phenylquinoxalin-2-yl)dibenzofuran-1-yl]phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[4-[4-(3-phenylquinoxalin-2-yl)dibenzofuran-1-yl]phenyl]naphthalen-2-amine
PubChem CID169048396
Molecular FormulaC54H35N3O
Molecular Weight741.89 g/mol
Exact Mass741.28
IUPAC NameN-(4-phenylphenyl)-N-[4-[4-(3-phenylquinoxalin-2-yl)dibenzofuran-1-yl]phenyl]naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5nc6ccccc6nc5-c5ccccc5)c5oc6ccccc6c45)cc3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C54H35N3O/c1-3-13-36(14-4-1)38-23-28-42(29-24-38)57(44-32-25-37-15-7-8-18-41(37)35-44)43-30-26-39(27-31-43)45-33-34-47(54-51(45)46-19-9-12-22-50(46)58-54)53-52(40-16-5-2-6-17-40)55-48-20-10-11-21-49(48)56-53/h1-35H
InChIKeyYVXDKDLWMZVGSC-UHFFFAOYSA-N
XLogP14.82
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.89
LogP ≤ 514.82
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-naphthalen-2-yl-N-phenyl-1-[4-(3-phenylquinoxalin-2-yl)phenyl]dibenzofuran-4-amine
CID 169048415
N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine
CID 176820471
N-[4-(4-phenyldibenzofuran-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 176821352
N-[4-(4-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 170535752
N-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine
CID 176820436
N-naphthalen-1-yl-N-[4-[1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-yl]phenyl]naphthalen-1-amine
CID 166975703
N-naphthalen-2-yl-N-(4-phenylphenyl)-1-(4-phenylquinazolin-2-yl)dibenzofuran-4-amine
CID 169048382
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine
CID 176820582
N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 166974983
N-(3,4-diphenylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-3-amine
CID 176821326
4-(4-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-yl)-N,N-diphenylaniline
CID 170536400

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[4-[4-(3-phenylquinoxalin-2-yl)dibenzofuran-1-yl]phenyl]naphthalen-2-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[4-[4-(3-phenylquinoxalin-2-yl)dibenzofuran-1-yl]phenyl]naphthalen-2-amine (CID 169048396) is N-(4-phenylphenyl)-N-[4-[4-(3-phenylquinoxalin-2-yl)dibenzofuran-1-yl]phenyl]naphthalen-2-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[4-[4-(3-phenylquinoxalin-2-yl)dibenzofuran-1-yl]phenyl]naphthalen-2-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[4-[4-(3-phenylquinoxalin-2-yl)dibenzofuran-1-yl]phenyl]naphthalen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5nc6ccccc6nc5-c5ccccc5)c5oc6ccccc6c45)cc3)c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-[4-[4-(3-phenylquinoxalin-2-yl)dibenzofuran-1-yl]phenyl]naphthalen-2-amine?
The InChIKey is YVXDKDLWMZVGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3O/c1-3-13-36(14-4-1)38-23-28-42(29-24-38)57(44-32-25-37-15-7-8-18-41(37)35-44)43-30-26-39(27-31-43)45-33-34-47(54-51(45)46-19-9-12-22-50(46)58-54)53-52(40-16-5-2-6-17-40)55-48-20-10-11-21-49(48)56-53/h1-35H.
What are the key properties of N-(4-phenylphenyl)-N-[4-[4-(3-phenylquinoxalin-2-yl)dibenzofuran-1-yl]phenyl]naphthalen-2-amine?
N-(4-phenylphenyl)-N-[4-[4-(3-phenylquinoxalin-2-yl)dibenzofuran-1-yl]phenyl]naphthalen-2-amine has a molecular weight of 741.89 g/mol, XLogP of 14.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[4-[4-(3-phenylquinoxalin-2-yl)dibenzofuran-1-yl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 169048396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).