N-dibenzofuran-2-yl-2-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine

C51H32N2O2 — CID 176851647

IUPACN-dibenzofuran-2-yl-2-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5ccc6ccc7nc(-c8ccccc8)oc7c6c5c4)c3)cc2)cc1
InChIInChI=1S/C51H32N2O2/c1-3-10-33(11-4-1)34-18-20-35(21-19-34)39-14-9-15-40(30-39)53(42-27-29-48-45(32-42)43-16-7-8-17-47(43)54-48)41-26-24-36-22-23-37-25-28-46-50(49(37)44(36)31-41)55-51(52-46)38-12-5-2-6-13-38/h1-32H
InChIKeyAZNIMDYDUCBBQC-UHFFFAOYSA-N
MW704.83 g/mol
LogP14.50
Rot. Bonds6

About N-dibenzofuran-2-yl-2-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine

N-dibenzofuran-2-yl-2-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine (PubChem CID 176851647) has the molecular formula C51H32N2O2 and a molecular weight of 704.83 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-2-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-2-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine
PubChem CID176851647
Molecular FormulaC51H32N2O2
Molecular Weight704.83 g/mol
Exact Mass704.25
IUPAC NameN-dibenzofuran-2-yl-2-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5ccc6ccc7nc(-c8ccccc8)oc7c6c5c4)c3)cc2)cc1
InChIInChI=1S/C51H32N2O2/c1-3-10-33(11-4-1)34-18-20-35(21-19-34)39-14-9-15-40(30-39)53(42-27-29-48-45(32-42)43-16-7-8-17-47(43)54-48)41-26-24-36-22-23-37-25-28-46-50(49(37)44(36)31-41)55-51(52-46)38-12-5-2-6-13-38/h1-32H
InChIKeyAZNIMDYDUCBBQC-UHFFFAOYSA-N
XLogP14.50
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.83
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-dibenzofuran-2-yl-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 168742999
N,N-di(dibenzofuran-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;hydride
CID 163563269
N-dibenzofuran-2-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 169053230
N-(4-dibenzofuran-2-ylphenyl)-3-naphtho[2,1-g][1,3]benzoxazol-2-yl-N-phenylaniline
CID 177119767
N-(4-methylphenyl)-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]dibenzofuran-2-amine
CID 170244607
N-(4-dibenzofuran-2-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-9-amine
CID 177119768
N-dibenzofuran-2-yl-N-phenanthren-2-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 169053168
4-dibenzofuran-2-yl-N-(4-naphtho[2,1-g][1,3]benzoxazol-2-ylphenyl)-N-phenylaniline
CID 177119854
1-N,3-N-diphenyl-1-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine
CID 171417058
N-dibenzofuran-3-yl-2-phenyl-N-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-8-amine
CID 174293796
N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-8-amine;N,N-diphenyl-4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)aniline;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 163590286
N-phenyl-N-[4-(5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaen-17-yl)phenyl]dibenzofuran-2-amine
CID 176631721

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-2-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine?
The IUPAC name of N-dibenzofuran-2-yl-2-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine (CID 176851647) is N-dibenzofuran-2-yl-2-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-2-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine?
The canonical SMILES for N-dibenzofuran-2-yl-2-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine is c1ccc(-c2ccc(-c3cccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5ccc6ccc7nc(-c8ccccc8)oc7c6c5c4)c3)cc2)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-2-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine?
The InChIKey is AZNIMDYDUCBBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O2/c1-3-10-33(11-4-1)34-18-20-35(21-19-34)39-14-9-15-40(30-39)53(42-27-29-48-45(32-42)43-16-7-8-17-47(43)54-48)41-26-24-36-22-23-37-25-28-46-50(49(37)44(36)31-41)55-51(52-46)38-12-5-2-6-13-38/h1-32H.
What are the key properties of N-dibenzofuran-2-yl-2-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine?
N-dibenzofuran-2-yl-2-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine has a molecular weight of 704.83 g/mol, XLogP of 14.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-2-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine is sourced from PubChem (CID 176851647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).