N-naphthalen-2-yl-N-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)naphthalen-2-amine

C41H26N2O — CID 171747678

IUPACN-naphthalen-2-yl-N-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)naphthalen-2-amine
SMILESc1ccc2cc(N(c3ccc(-c4nc5c6ccccc6c6ccccc6c5o4)cc3)c3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C41H26N2O/c1-3-11-30-25-33(23-17-27(30)9-1)43(34-24-18-28-10-2-4-12-31(28)26-34)32-21-19-29(20-22-32)41-42-39-37-15-7-5-13-35(37)36-14-6-8-16-38(36)40(39)44-41/h1-26H
InChIKeyDHSVNUIRWAFIJQ-UHFFFAOYSA-N
MW562.67 g/mol
LogP11.58
Rot. Bonds4

About N-naphthalen-2-yl-N-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)naphthalen-2-amine

N-naphthalen-2-yl-N-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)naphthalen-2-amine (PubChem CID 171747678) has the molecular formula C41H26N2O and a molecular weight of 562.67 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)naphthalen-2-amine
PubChem CID171747678
Molecular FormulaC41H26N2O
Molecular Weight562.67 g/mol
Exact Mass562.20
IUPAC NameN-naphthalen-2-yl-N-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)naphthalen-2-amine
SMILESc1ccc2cc(N(c3ccc(-c4nc5c6ccccc6c6ccccc6c5o4)cc3)c3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C41H26N2O/c1-3-11-30-25-33(23-17-27(30)9-1)43(34-24-18-28-10-2-4-12-31(28)26-34)32-21-19-29(20-22-32)41-42-39-37-15-7-5-13-35(37)36-14-6-8-16-38(36)40(39)44-41/h1-26H
InChIKeyDHSVNUIRWAFIJQ-UHFFFAOYSA-N
XLogP11.58
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.67
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-naphthalen-2-yl-N-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)naphthalen-2-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

3-N-naphthalen-2-yl-1-N-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 171747409
N-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-N,3-diphenylaniline
CID 171747683
N,N,4-triphenyl-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 170122328
N,N-diphenyl-2-[3-(N-(4-phenylphenyl)anilino)phenyl]phenanthro[10,9-d][1,3]oxazol-5-amine
CID 171747533
N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 155473984
N,4-diphenyl-N-(3-phenylphenyl)-5-oxa-3-azapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2(6),3,7,9,11,14,16(21),17,19-decaen-19-amine
CID 170122266
N-(4-naphthalen-2-ylphenyl)-5-phenyl-N-(4-phenylphenyl)-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaen-18-amine
CID 176631252
3-N-dibenzofuran-2-yl-3-N-(3-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-1-N,1-N-diphenylbenzene-1,3-diamine
CID 171747487
3-N-dibenzofuran-2-yl-1-N-(3-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 171747502
N-[4-(7,18-dioxa-9-azapentacyclo[13.2.1.05,17.06,10.011,16]octadeca-1,3,5(17),6(10),8,11(16),12,14-octaen-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 177089709
N-[4-(2-naphthalen-2-yl-1,3-benzoxazol-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine
CID 176785622
3-N-naphthalen-2-yl-1-N,1-N-diphenyl-3-N-[3-(N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)anilino)phenyl]benzene-1,3-diamine
CID 171417102

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)naphthalen-2-amine?
The IUPAC name of N-naphthalen-2-yl-N-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)naphthalen-2-amine (CID 171747678) is N-naphthalen-2-yl-N-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)naphthalen-2-amine?
The canonical SMILES for N-naphthalen-2-yl-N-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)naphthalen-2-amine is c1ccc2cc(N(c3ccc(-c4nc5c6ccccc6c6ccccc6c5o4)cc3)c3ccc4ccccc4c3)ccc2c1.
What is the InChIKey of N-naphthalen-2-yl-N-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)naphthalen-2-amine?
The InChIKey is DHSVNUIRWAFIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2O/c1-3-11-30-25-33(23-17-27(30)9-1)43(34-24-18-28-10-2-4-12-31(28)26-34)32-21-19-29(20-22-32)41-42-39-37-15-7-5-13-35(37)36-14-6-8-16-38(36)40(39)44-41/h1-26H.
What are the key properties of N-naphthalen-2-yl-N-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)naphthalen-2-amine?
N-naphthalen-2-yl-N-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)naphthalen-2-amine has a molecular weight of 562.67 g/mol, XLogP of 11.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)naphthalen-2-amine is sourced from PubChem (CID 171747678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).