N-dibenzofuran-3-yl-2-phenyl-N-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-8-amine

C45H28N2O2 — CID 174293796

IUPACN-dibenzofuran-3-yl-2-phenyl-N-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-8-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4ccc5c(ccc6nc(-c7ccccc7)oc65)c4c3)c2)cc1
InChIInChI=1S/C45H28N2O2/c1-3-10-29(11-4-1)32-14-9-15-33(26-32)47(35-21-23-38-37-16-7-8-17-42(37)48-43(38)28-35)34-20-18-30-19-22-39-36(40(30)27-34)24-25-41-44(39)49-45(46-41)31-12-5-2-6-13-31/h1-28H
InChIKeyYIRMULYAALFTHA-UHFFFAOYSA-N
MW628.73 g/mol
LogP12.84
Rot. Bonds5

About N-dibenzofuran-3-yl-2-phenyl-N-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-8-amine

N-dibenzofuran-3-yl-2-phenyl-N-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-8-amine (PubChem CID 174293796) has the molecular formula C45H28N2O2 and a molecular weight of 628.73 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-2-phenyl-N-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-8-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-2-phenyl-N-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-8-amine
PubChem CID174293796
Molecular FormulaC45H28N2O2
Molecular Weight628.73 g/mol
Exact Mass628.22
IUPAC NameN-dibenzofuran-3-yl-2-phenyl-N-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-8-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4ccc5c(ccc6nc(-c7ccccc7)oc65)c4c3)c2)cc1
InChIInChI=1S/C45H28N2O2/c1-3-10-29(11-4-1)32-14-9-15-33(26-32)47(35-21-23-38-37-16-7-8-17-42(37)48-43(38)28-35)34-20-18-30-19-22-39-36(40(30)27-34)24-25-41-44(39)49-45(46-41)31-12-5-2-6-13-31/h1-28H
InChIKeyYIRMULYAALFTHA-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-dibenzofuran-3-yl-2-phenyl-N-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-8-amine with MolForge

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Related Compounds

N-dibenzofuran-3-yl-17-phenyl-N-(3-phenylphenyl)-16-oxa-18-azapentacyclo[12.7.0.02,7.08,13.015,19]henicosa-1(14),2,4,6,8(13),9,11,15(19),17,20-decaen-11-amine
CID 165027441
N-dibenzofuran-2-yl-2-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 176851647
N-dibenzofuran-3-yl-4-phenyl-N-(3-phenylphenyl)-5-oxa-3-azapentacyclo[11.8.0.02,6.07,12.014,19]henicosa-1(13),2(6),3,7,9,11,14(19),15,17,20-decaen-16-amine
CID 170122349
N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167125004
N-chrysen-3-yl-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 170137135
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-dibenzofuran-2-yl-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 168742999
N-phenanthren-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167122976
N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)naphtho[1,2-g][1,3]benzoxazol-8-amine
CID 174294004
N,N-di(dibenzofuran-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;hydride
CID 163563269
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-7-phenyl-N-(4-phenylphenyl)-8-oxa-6-azapentacyclo[11.8.0.02,10.05,9.016,21]henicosa-1(13),2(10),3,5(9),6,11,14,16(21),17,19-decaen-18-amine
CID 176851434

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-2-phenyl-N-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-8-amine?
The IUPAC name of N-dibenzofuran-3-yl-2-phenyl-N-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-8-amine (CID 174293796) is N-dibenzofuran-3-yl-2-phenyl-N-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-8-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-2-phenyl-N-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-8-amine?
The canonical SMILES for N-dibenzofuran-3-yl-2-phenyl-N-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-8-amine is c1ccc(-c2cccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4ccc5c(ccc6nc(-c7ccccc7)oc65)c4c3)c2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-2-phenyl-N-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-8-amine?
The InChIKey is YIRMULYAALFTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2O2/c1-3-10-29(11-4-1)32-14-9-15-33(26-32)47(35-21-23-38-37-16-7-8-17-42(37)48-43(38)28-35)34-20-18-30-19-22-39-36(40(30)27-34)24-25-41-44(39)49-45(46-41)31-12-5-2-6-13-31/h1-28H.
What are the key properties of N-dibenzofuran-3-yl-2-phenyl-N-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-8-amine?
N-dibenzofuran-3-yl-2-phenyl-N-(3-phenylphenyl)naphtho[1,2-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-dibenzofuran-3-yl-2-phenyl-N-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-8-amine is sourced from PubChem (CID 174293796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).