N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine

C49H34N2O — CID 166889560

IUPACN-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4c(c6ccccc65)NC(c5ccccc5)O4)cc3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C49H34N2O/c1-3-12-33(13-4-1)34-22-27-39(28-23-34)51(46-21-11-17-36-14-7-8-18-41(36)46)40-29-24-35(25-30-40)38-26-31-43-42-19-9-10-20-44(42)47-48(45(43)32-38)52-49(50-47)37-15-5-2-6-16-37/h1-32,49-50H
InChIKeyIUEJLKWVZDIPKI-UHFFFAOYSA-N
MW666.82 g/mol
LogP13.45
Rot. Bonds6

About N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine

N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 166889560) has the molecular formula C49H34N2O and a molecular weight of 666.82 g/mol. Its IUPAC name is N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
PubChem CID166889560
Molecular FormulaC49H34N2O
Molecular Weight666.82 g/mol
Exact Mass666.27
IUPAC NameN-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4c(c6ccccc65)NC(c5ccccc5)O4)cc3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C49H34N2O/c1-3-12-33(13-4-1)34-22-27-39(28-23-34)51(46-21-11-17-36-14-7-8-18-41(36)46)40-29-24-35(25-30-40)38-26-31-43-42-19-9-10-20-44(42)47-48(45(43)32-38)52-49(50-47)37-15-5-2-6-16-37/h1-32,49-50H
InChIKeyIUEJLKWVZDIPKI-UHFFFAOYSA-N
XLogP13.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.82
LogP ≤ 513.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-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-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]naphthalen-1-amine
CID 166889558
N-[3-(2,5-diphenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 166889542
N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]naphthalen-2-amine
CID 166889557
N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-amine
CID 166889328
N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-9-yl)phenyl]naphthalen-2-amine
CID 166889312
4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-yl)phenyl]aniline
CID 166889186
N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-9-amine
CID 166889500
N-naphthalen-2-yl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]dibenzofuran-3-amine
CID 166889205
2-naphthalen-1-yl-N-phenyl-N-(4-phenylphenyl)-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-amine
CID 166889691
2-phenyl-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrophenanthro[9,10-d][1,3]oxazole
CID 163658292
N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
9-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazole
CID 163596565

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine (CID 166889560) is N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4c(c6ccccc65)NC(c5ccccc5)O4)cc3)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The InChIKey is IUEJLKWVZDIPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2O/c1-3-12-33(13-4-1)34-22-27-39(28-23-34)51(46-21-11-17-36-14-7-8-18-41(36)46)40-29-24-35(25-30-40)38-26-31-43-42-19-9-10-20-44(42)47-48(45(43)32-38)52-49(50-47)37-15-5-2-6-16-37/h1-32,49-50H.
What are the key properties of N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 666.82 g/mol, XLogP of 13.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 166889560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).