N-phenyl-N-triphenylen-2-yl-1,3-benzoxazol-2-amine

C31H20N2O — CID 166918292

IUPACN-phenyl-N-triphenylen-2-yl-1,3-benzoxazol-2-amine
SMILESc1ccc(N(c2ccc3c4ccccc4c4ccccc4c3c2)c2nc3ccccc3o2)cc1
InChIInChI=1S/C31H20N2O/c1-2-10-21(11-3-1)33(31-32-29-16-8-9-17-30(29)34-31)22-18-19-27-25-14-5-4-12-23(25)24-13-6-7-15-26(24)28(27)20-22/h1-20H
InChIKeyNUVMGJSUMUZGEW-UHFFFAOYSA-N
MW436.51 g/mol
LogP8.76
Rot. Bonds3

About N-phenyl-N-triphenylen-2-yl-1,3-benzoxazol-2-amine

N-phenyl-N-triphenylen-2-yl-1,3-benzoxazol-2-amine (PubChem CID 166918292) has the molecular formula C31H20N2O and a molecular weight of 436.51 g/mol. Its IUPAC name is N-phenyl-N-triphenylen-2-yl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-phenyl-N-triphenylen-2-yl-1,3-benzoxazol-2-amine
PubChem CID166918292
Molecular FormulaC31H20N2O
Molecular Weight436.51 g/mol
Exact Mass436.16
IUPAC NameN-phenyl-N-triphenylen-2-yl-1,3-benzoxazol-2-amine
SMILESc1ccc(N(c2ccc3c4ccccc4c4ccccc4c3c2)c2nc3ccccc3o2)cc1
InChIInChI=1S/C31H20N2O/c1-2-10-21(11-3-1)33(31-32-29-16-8-9-17-30(29)34-31)22-18-19-27-25-14-5-4-12-23(25)24-13-6-7-15-26(24)28(27)20-22/h1-20H
InChIKeyNUVMGJSUMUZGEW-UHFFFAOYSA-N
XLogP8.76
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diphenyl-1,3-benzoxazol-2-amine
CID 101462195
4-N,9-N-bis(1,3-benzoxazol-2-yl)-4-N,9-N-diphenylpyrene-4,9-diamine
CID 174313126
N,N-diphenyl-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-4-amine
CID 167121638
9-(1,3-benzoxazol-2-yl)-N-chrysen-3-yl-N-phenyldibenzofuran-2-amine
CID 177081356
N-dibenzothiophen-4-yl-N-phenyl-1,3-benzoxazol-2-amine
CID 166918024
9-(1,3-benzoxazol-2-yl)-N,N-diphenyl-17-oxatricyclo[8.7.0.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-13-amine
CID 171755445
5-(1,3-benzoxazol-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 171755349
9-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-5-amine
CID 175615107
2-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-di(triphenylen-2-yl)fluorene-2,7-diamine
CID 155473682
N-[2,5-diphenyl-3-[6-(N-phenylanilino)dibenzofuran-3-yl]phenyl]-N-phenyl-1,3-benzoxazol-2-amine
CID 164805613
N,N-diphenyldibenzofuran-2-amine
CID 58038469
4-[4-[7-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,N-diphenylaniline
CID 171755146

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-triphenylen-2-yl-1,3-benzoxazol-2-amine?
The IUPAC name of N-phenyl-N-triphenylen-2-yl-1,3-benzoxazol-2-amine (CID 166918292) is N-phenyl-N-triphenylen-2-yl-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-phenyl-N-triphenylen-2-yl-1,3-benzoxazol-2-amine?
The canonical SMILES for N-phenyl-N-triphenylen-2-yl-1,3-benzoxazol-2-amine is c1ccc(N(c2ccc3c4ccccc4c4ccccc4c3c2)c2nc3ccccc3o2)cc1.
What is the InChIKey of N-phenyl-N-triphenylen-2-yl-1,3-benzoxazol-2-amine?
The InChIKey is NUVMGJSUMUZGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N2O/c1-2-10-21(11-3-1)33(31-32-29-16-8-9-17-30(29)34-31)22-18-19-27-25-14-5-4-12-23(25)24-13-6-7-15-26(24)28(27)20-22/h1-20H.
What are the key properties of N-phenyl-N-triphenylen-2-yl-1,3-benzoxazol-2-amine?
N-phenyl-N-triphenylen-2-yl-1,3-benzoxazol-2-amine has a molecular weight of 436.51 g/mol, XLogP of 8.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-triphenylen-2-yl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 166918292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).