N-(3-dibenzofuran-1-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-8-amine

C45H28N2O2 — CID 174323928

IUPACN-(3-dibenzofuran-1-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-8-amine
SMILESc1ccc(-c2nc3ccc4ccc5c(N(c6ccccc6)c6cccc(-c7cccc8oc9ccccc9c78)c6)cccc5c4c3o2)cc1
InChIInChI=1S/C45H28N2O2/c1-3-12-30(13-4-1)45-46-38-27-25-29-24-26-35-36(42(29)44(38)49-45)20-10-21-39(35)47(32-15-5-2-6-16-32)33-17-9-14-31(28-33)34-19-11-23-41-43(34)37-18-7-8-22-40(37)48-41/h1-28H
InChIKeyGBODPKDFTDRMOM-UHFFFAOYSA-N
MW628.73 g/mol
LogP12.84
Rot. Bonds5

About N-(3-dibenzofuran-1-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-8-amine

N-(3-dibenzofuran-1-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-8-amine (PubChem CID 174323928) has the molecular formula C45H28N2O2 and a molecular weight of 628.73 g/mol. Its IUPAC name is N-(3-dibenzofuran-1-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-8-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-1-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-8-amine
PubChem CID174323928
Molecular FormulaC45H28N2O2
Molecular Weight628.73 g/mol
Exact Mass628.22
IUPAC NameN-(3-dibenzofuran-1-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-8-amine
SMILESc1ccc(-c2nc3ccc4ccc5c(N(c6ccccc6)c6cccc(-c7cccc8oc9ccccc9c78)c6)cccc5c4c3o2)cc1
InChIInChI=1S/C45H28N2O2/c1-3-12-30(13-4-1)45-46-38-27-25-29-24-26-35-36(42(29)44(38)49-45)20-10-21-39(35)47(32-15-5-2-6-16-32)33-17-9-14-31(28-33)34-19-11-23-41-43(34)37-18-7-8-22-40(37)48-41/h1-28H
InChIKeyGBODPKDFTDRMOM-UHFFFAOYSA-N
XLogP12.84
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.73
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-dibenzofuran-1-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-dibenzofuran-1-ylphenyl)-5-phenyl-N-(4-phenylphenyl)-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-amine
CID 176631492
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-8-yl)benzene-1,3-diamine
CID 171416971
N-dibenzofuran-1-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 155473792
N-[3-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 176877839
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-dibenzofuran-1-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112795
N-dibenzofuran-2-yl-5-phenyl-N-(4-phenylphenyl)-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-amine
CID 176631630
N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 176877752
N,N-di(dibenzofuran-2-yl)-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-amine
CID 176631324
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)chrysen-1-amine
CID 170137895
1-N-phenyl-1-N-[4-(N-phenylanilino)phenyl]-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)-3-N-[2-(2-phenylphenyl)phenyl]benzene-1,3-diamine
CID 171417037

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-1-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-8-amine?
The IUPAC name of N-(3-dibenzofuran-1-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-8-amine (CID 174323928) is N-(3-dibenzofuran-1-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-8-amine.
What is the SMILES notation for N-(3-dibenzofuran-1-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-8-amine?
The canonical SMILES for N-(3-dibenzofuran-1-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-8-amine is c1ccc(-c2nc3ccc4ccc5c(N(c6ccccc6)c6cccc(-c7cccc8oc9ccccc9c78)c6)cccc5c4c3o2)cc1.
What is the InChIKey of N-(3-dibenzofuran-1-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-8-amine?
The InChIKey is GBODPKDFTDRMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2O2/c1-3-12-30(13-4-1)45-46-38-27-25-29-24-26-35-36(42(29)44(38)49-45)20-10-21-39(35)47(32-15-5-2-6-16-32)33-17-9-14-31(28-33)34-19-11-23-41-43(34)37-18-7-8-22-40(37)48-41/h1-28H.
What are the key properties of N-(3-dibenzofuran-1-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-8-amine?
N-(3-dibenzofuran-1-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-8-amine has a molecular weight of 628.73 g/mol, XLogP of 12.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-1-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-8-amine is sourced from PubChem (CID 174323928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).