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

C43H30N2O — CID 166889691

IUPAC2-naphthalen-1-yl-N-phenyl-N-(4-phenylphenyl)-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3c(c5ccccc54)OC(c4cccc5ccccc45)N3)cc2)cc1
InChIInChI=1S/C43H30N2O/c1-3-12-29(13-4-1)30-22-24-33(25-23-30)45(32-16-5-2-6-17-32)34-26-27-37-36-19-9-10-20-38(36)42-41(40(37)28-34)44-43(46-42)39-21-11-15-31-14-7-8-18-35(31)39/h1-28,43-44H
InChIKeyVJADJEWMVIUQDR-UHFFFAOYSA-N
MW590.73 g/mol
LogP11.79
Rot. Bonds5

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

2-naphthalen-1-yl-N-phenyl-N-(4-phenylphenyl)-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-amine (PubChem CID 166889691) has the molecular formula C43H30N2O and a molecular weight of 590.73 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-phenyl-N-(4-phenylphenyl)-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-amine.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-phenyl-N-(4-phenylphenyl)-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-amine
PubChem CID166889691
Molecular FormulaC43H30N2O
Molecular Weight590.73 g/mol
Exact Mass590.24
IUPAC Name2-naphthalen-1-yl-N-phenyl-N-(4-phenylphenyl)-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3c(c5ccccc54)OC(c4cccc5ccccc45)N3)cc2)cc1
InChIInChI=1S/C43H30N2O/c1-3-12-29(13-4-1)30-22-24-33(25-23-30)45(32-16-5-2-6-17-32)34-26-27-37-36-19-9-10-20-38(36)42-41(40(37)28-34)44-43(46-42)39-21-11-15-31-14-7-8-18-35(31)39/h1-28,43-44H
InChIKeyVJADJEWMVIUQDR-UHFFFAOYSA-N
XLogP11.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.73
LogP ≤ 511.79
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

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-[3-(2,5-diphenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 166889542
N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-9-amine
CID 166889500
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
N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]naphthalen-1-amine
CID 166889558
N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 166889560
N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]naphthalen-2-amine
CID 166889557
8-phenyl-N,N-bis(4-phenylphenyl)-7,18-dioxa-9-azapentacyclo[13.2.1.05,17.06,10.011,16]octadeca-1,3,5(17),6(10),11(16),12,14-heptaen-3-amine
CID 177089759
N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine
CID 157494706
N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine
CID 58362096
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

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-phenyl-N-(4-phenylphenyl)-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-amine?
The IUPAC name of 2-naphthalen-1-yl-N-phenyl-N-(4-phenylphenyl)-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-amine (CID 166889691) is 2-naphthalen-1-yl-N-phenyl-N-(4-phenylphenyl)-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-amine.
What is the SMILES notation for 2-naphthalen-1-yl-N-phenyl-N-(4-phenylphenyl)-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-amine?
The canonical SMILES for 2-naphthalen-1-yl-N-phenyl-N-(4-phenylphenyl)-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3c(c5ccccc54)OC(c4cccc5ccccc45)N3)cc2)cc1.
What is the InChIKey of 2-naphthalen-1-yl-N-phenyl-N-(4-phenylphenyl)-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-amine?
The InChIKey is VJADJEWMVIUQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2O/c1-3-12-29(13-4-1)30-22-24-33(25-23-30)45(32-16-5-2-6-17-32)34-26-27-37-36-19-9-10-20-38(36)42-41(40(37)28-34)44-43(46-42)39-21-11-15-31-14-7-8-18-35(31)39/h1-28,43-44H.
What are the key properties of 2-naphthalen-1-yl-N-phenyl-N-(4-phenylphenyl)-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-amine?
2-naphthalen-1-yl-N-phenyl-N-(4-phenylphenyl)-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-amine has a molecular weight of 590.73 g/mol, XLogP of 11.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-phenyl-N-(4-phenylphenyl)-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-amine is sourced from PubChem (CID 166889691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).