N-naphthalen-2-yl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)naphthalen-1-yl]dibenzofuran-3-amine

C52H32N4O — CID 170254578

IUPACN-naphthalen-2-yl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)naphthalen-1-yl]dibenzofuran-3-amine
SMILESc1ccc(-n2nc3ccc4ccc5cc(-c6ccc(N(c7ccc8ccccc8c7)c7ccc8c(c7)oc7ccccc78)c7ccccc67)ccc5c4c3n2)cc1
InChIInChI=1S/C52H32N4O/c1-2-12-38(13-3-1)56-53-47-28-22-34-18-19-37-30-36(21-25-42(37)51(34)52(47)54-56)41-27-29-48(44-15-7-6-14-43(41)44)55(39-23-20-33-10-4-5-11-35(33)31-39)40-24-26-46-45-16-8-9-17-49(45)57-50(46)32-40/h1-32H
InChIKeyGAIDAXABUWIMAD-UHFFFAOYSA-N
MW728.86 g/mol
LogP14.07
Rot. Bonds5

About N-naphthalen-2-yl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)naphthalen-1-yl]dibenzofuran-3-amine

N-naphthalen-2-yl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)naphthalen-1-yl]dibenzofuran-3-amine (PubChem CID 170254578) has the molecular formula C52H32N4O and a molecular weight of 728.86 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)naphthalen-1-yl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)naphthalen-1-yl]dibenzofuran-3-amine
PubChem CID170254578
Molecular FormulaC52H32N4O
Molecular Weight728.86 g/mol
Exact Mass728.26
IUPAC NameN-naphthalen-2-yl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)naphthalen-1-yl]dibenzofuran-3-amine
SMILESc1ccc(-n2nc3ccc4ccc5cc(-c6ccc(N(c7ccc8ccccc8c7)c7ccc8c(c7)oc7ccccc78)c7ccccc67)ccc5c4c3n2)cc1
InChIInChI=1S/C52H32N4O/c1-2-12-38(13-3-1)56-53-47-28-22-34-18-19-37-30-36(21-25-42(37)51(34)52(47)54-56)41-27-29-48(44-15-7-6-14-43(41)44)55(39-23-20-33-10-4-5-11-35(33)31-39)40-24-26-46-45-16-8-9-17-49(45)57-50(46)32-40/h1-32H
InChIKeyGAIDAXABUWIMAD-UHFFFAOYSA-N
XLogP14.07
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.86
LogP ≤ 514.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)naphtho[1,2-e]benzotriazol-10-amine
CID 164740322
N-phenyl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)phenyl]dibenzofuran-2-amine
CID 170254580
9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[1,2-e]benzotriazole
CID 168743066
N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)benzo[e]benzotriazol-8-amine
CID 164740360
N-dibenzofuran-1-yl-N,2-diphenylbenzo[e]benzotriazol-8-amine;N-dibenzofuran-3-yl-N,2-diphenylnaphtho[1,2-e]benzotriazol-10-amine;N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)benzo[e]benzotriazol-8-amine;N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)benzo[e]benzotriazol-8-amine
CID 164956877
N-naphthalen-2-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]naphthalen-1-yl]dibenzofuran-3-amine
CID 177116996
2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e]benzotriazol-9-amine
CID 170254413
N-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine
CID 121241785
N,N-dinaphthalen-2-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-yl)pyren-1-amine
CID 155008946
N-[4-[3-naphthalen-2-yl-4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 146582612
N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 174256560
N-dibenzofuran-3-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzofuran-3-amine
CID 71126774

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)naphthalen-1-yl]dibenzofuran-3-amine?
The IUPAC name of N-naphthalen-2-yl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)naphthalen-1-yl]dibenzofuran-3-amine (CID 170254578) is N-naphthalen-2-yl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)naphthalen-1-yl]dibenzofuran-3-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)naphthalen-1-yl]dibenzofuran-3-amine?
The canonical SMILES for N-naphthalen-2-yl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)naphthalen-1-yl]dibenzofuran-3-amine is c1ccc(-n2nc3ccc4ccc5cc(-c6ccc(N(c7ccc8ccccc8c7)c7ccc8c(c7)oc7ccccc78)c7ccccc67)ccc5c4c3n2)cc1.
What is the InChIKey of N-naphthalen-2-yl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)naphthalen-1-yl]dibenzofuran-3-amine?
The InChIKey is GAIDAXABUWIMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4O/c1-2-12-38(13-3-1)56-53-47-28-22-34-18-19-37-30-36(21-25-42(37)51(34)52(47)54-56)41-27-29-48(44-15-7-6-14-43(41)44)55(39-23-20-33-10-4-5-11-35(33)31-39)40-24-26-46-45-16-8-9-17-49(45)57-50(46)32-40/h1-32H.
What are the key properties of N-naphthalen-2-yl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)naphthalen-1-yl]dibenzofuran-3-amine?
N-naphthalen-2-yl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)naphthalen-1-yl]dibenzofuran-3-amine has a molecular weight of 728.86 g/mol, XLogP of 14.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)naphthalen-1-yl]dibenzofuran-3-amine is sourced from PubChem (CID 170254578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).