4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-yl)phenyl]aniline

C49H34N2O — CID 166889186

IUPAC4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-yl)phenyl]aniline
SMILESc1ccc(C2Nc3c(c4ccccc4c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc8ccccc8c7)cc6)cc5)cc34)O2)cc1
InChIInChI=1S/C49H34N2O/c1-3-12-36(13-4-1)49-50-47-46-32-39(25-30-44(46)43-17-9-10-18-45(43)48(47)52-49)35-23-28-42(29-24-35)51(40-15-5-2-6-16-40)41-26-21-34(22-27-41)38-20-19-33-11-7-8-14-37(33)31-38/h1-32,49-50H
InChIKeyAKNJHQHVIAZXFZ-UHFFFAOYSA-N
MW666.82 g/mol
LogP13.45
Rot. Bonds6

About 4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-yl)phenyl]aniline

4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-yl)phenyl]aniline (PubChem CID 166889186) has the molecular formula C49H34N2O and a molecular weight of 666.82 g/mol. Its IUPAC name is 4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-yl)phenyl]aniline.

Molecular Properties

Compound Name4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-yl)phenyl]aniline
PubChem CID166889186
Molecular FormulaC49H34N2O
Molecular Weight666.82 g/mol
Exact Mass666.27
IUPAC Name4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-yl)phenyl]aniline
SMILESc1ccc(C2Nc3c(c4ccccc4c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc8ccccc8c7)cc6)cc5)cc34)O2)cc1
InChIInChI=1S/C49H34N2O/c1-3-12-36(13-4-1)49-50-47-46-32-39(25-30-44(46)43-17-9-10-18-45(43)48(47)52-49)35-23-28-42(29-24-35)51(40-15-5-2-6-16-40)41-26-21-34(22-27-41)38-20-19-33-11-7-8-14-37(33)31-38/h1-32,49-50H
InChIKeyAKNJHQHVIAZXFZ-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'}

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Related Compounds

N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-9-yl)phenyl]naphthalen-2-amine
CID 166889312
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-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-9-amine
CID 166889500
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-naphthalen-2-yl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]dibenzofuran-3-amine
CID 166889205
N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 166889560
10-[3-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazole
CID 163834073
2-naphthalen-1-yl-N-phenyl-N-(4-phenylphenyl)-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-amine
CID 166889691
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 170675871
N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline
CID 58511216

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-yl)phenyl]aniline?
The IUPAC name of 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) is 4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-yl)phenyl]aniline.
What is the SMILES notation for 4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-yl)phenyl]aniline?
The canonical SMILES for 4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-yl)phenyl]aniline is c1ccc(C2Nc3c(c4ccccc4c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc8ccccc8c7)cc6)cc5)cc34)O2)cc1.
What is the InChIKey of 4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-yl)phenyl]aniline?
The InChIKey is AKNJHQHVIAZXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2O/c1-3-12-36(13-4-1)49-50-47-46-32-39(25-30-44(46)43-17-9-10-18-45(43)48(47)52-49)35-23-28-42(29-24-35)51(40-15-5-2-6-16-40)41-26-21-34(22-27-41)38-20-19-33-11-7-8-14-37(33)31-38/h1-32,49-50H.
What are the key properties of 4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-yl)phenyl]aniline?
4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-yl)phenyl]aniline 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 4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-yl)phenyl]aniline is sourced from PubChem (CID 166889186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).