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

C51H32N2O2 — CID 177119511

IUPACN-(4-dibenzofuran-3-yl-3-phenylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2nc3ccc4ccc5ccc(N(c6ccccc6)c6ccc(-c7ccc8c(c7)oc7ccccc78)c(-c7ccccc7)c6)cc5c4c3o2)cc1
InChIInChI=1S/C51H32N2O2/c1-4-12-33(13-5-1)44-31-40(26-28-41(44)37-23-27-43-42-18-10-11-19-47(42)54-48(43)30-37)53(38-16-8-3-9-17-38)39-25-22-34-20-21-35-24-29-46-50(49(35)45(34)32-39)55-51(52-46)36-14-6-2-7-15-36/h1-32H
InChIKeyVLCFDJOFFRXTMM-UHFFFAOYSA-N
MW704.83 g/mol
LogP14.50
Rot. Bonds6

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

N-(4-dibenzofuran-3-yl-3-phenylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine (PubChem CID 177119511) has the molecular formula C51H32N2O2 and a molecular weight of 704.83 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-yl-3-phenylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-yl-3-phenylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
PubChem CID177119511
Molecular FormulaC51H32N2O2
Molecular Weight704.83 g/mol
Exact Mass704.25
IUPAC NameN-(4-dibenzofuran-3-yl-3-phenylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2nc3ccc4ccc5ccc(N(c6ccccc6)c6ccc(-c7ccc8c(c7)oc7ccccc78)c(-c7ccccc7)c6)cc5c4c3o2)cc1
InChIInChI=1S/C51H32N2O2/c1-4-12-33(13-5-1)44-31-40(26-28-41(44)37-23-27-43-42-18-10-11-19-47(42)54-48(43)30-37)53(38-16-8-3-9-17-38)39-25-22-34-20-21-35-24-29-46-50(49(35)45(34)32-39)55-51(52-46)36-14-6-2-7-15-36/h1-32H
InChIKeyVLCFDJOFFRXTMM-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-(4-dibenzofuran-3-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-9-amine
CID 168743053
N-dibenzofuran-2-yl-2-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 176851647
N,N-di(dibenzofuran-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;hydride
CID 163563269
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-(2-dibenzofuran-2-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 174319667
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
N-(4-methylphenyl)-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]dibenzofuran-2-amine
CID 170244607
1-N,1-N,3-N,5-N,5-N-pentakis-phenyl-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3,5-triamine
CID 171417112
N-(4-dibenzofuran-2-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-9-amine
CID 177119768
N-dibenzofuran-2-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 169053230
N-dibenzofuran-2-yl-N-phenanthren-2-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 169053168

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-yl-3-phenylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine?
The IUPAC name of N-(4-dibenzofuran-3-yl-3-phenylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine (CID 177119511) is N-(4-dibenzofuran-3-yl-3-phenylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine.
What is the SMILES notation for N-(4-dibenzofuran-3-yl-3-phenylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine?
The canonical SMILES for N-(4-dibenzofuran-3-yl-3-phenylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine is c1ccc(-c2nc3ccc4ccc5ccc(N(c6ccccc6)c6ccc(-c7ccc8c(c7)oc7ccccc78)c(-c7ccccc7)c6)cc5c4c3o2)cc1.
What is the InChIKey of N-(4-dibenzofuran-3-yl-3-phenylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine?
The InChIKey is VLCFDJOFFRXTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O2/c1-4-12-33(13-5-1)44-31-40(26-28-41(44)37-23-27-43-42-18-10-11-19-47(42)54-48(43)30-37)53(38-16-8-3-9-17-38)39-25-22-34-20-21-35-24-29-46-50(49(35)45(34)32-39)55-51(52-46)36-14-6-2-7-15-36/h1-32H.
What are the key properties of N-(4-dibenzofuran-3-yl-3-phenylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine?
N-(4-dibenzofuran-3-yl-3-phenylphenyl)-N,2-diphenylnaphtho[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-(4-dibenzofuran-3-yl-3-phenylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine is sourced from PubChem (CID 177119511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).