N,N-diphenyl-2-[3-(N-(4-phenylphenyl)anilino)phenyl]phenanthro[10,9-d][1,3]oxazol-5-amine

C51H35N3O — CID 171747533

IUPACN,N-diphenyl-2-[3-(N-(4-phenylphenyl)anilino)phenyl]phenanthro[10,9-d][1,3]oxazol-5-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4nc5c6cc(N(c7ccccc7)c7ccccc7)ccc6c6ccccc6c5o4)c3)cc2)cc1
InChIInChI=1S/C51H35N3O/c1-5-16-36(17-6-1)37-28-30-42(31-29-37)54(41-23-11-4-12-24-41)43-25-15-18-38(34-43)51-52-49-48-35-44(32-33-46(48)45-26-13-14-27-47(45)50(49)55-51)53(39-19-7-2-8-20-39)40-21-9-3-10-22-40/h1-35H
InChIKeyBYYKJNABTXHSKK-UHFFFAOYSA-N
MW705.86 g/mol
LogP14.41
Rot. Bonds8

About N,N-diphenyl-2-[3-(N-(4-phenylphenyl)anilino)phenyl]phenanthro[10,9-d][1,3]oxazol-5-amine

N,N-diphenyl-2-[3-(N-(4-phenylphenyl)anilino)phenyl]phenanthro[10,9-d][1,3]oxazol-5-amine (PubChem CID 171747533) has the molecular formula C51H35N3O and a molecular weight of 705.86 g/mol. Its IUPAC name is N,N-diphenyl-2-[3-(N-(4-phenylphenyl)anilino)phenyl]phenanthro[10,9-d][1,3]oxazol-5-amine.

Molecular Properties

Compound NameN,N-diphenyl-2-[3-(N-(4-phenylphenyl)anilino)phenyl]phenanthro[10,9-d][1,3]oxazol-5-amine
PubChem CID171747533
Molecular FormulaC51H35N3O
Molecular Weight705.86 g/mol
Exact Mass705.28
IUPAC NameN,N-diphenyl-2-[3-(N-(4-phenylphenyl)anilino)phenyl]phenanthro[10,9-d][1,3]oxazol-5-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4nc5c6cc(N(c7ccccc7)c7ccccc7)ccc6c6ccccc6c5o4)c3)cc2)cc1
InChIInChI=1S/C51H35N3O/c1-5-16-36(17-6-1)37-28-30-42(31-29-37)54(41-23-11-4-12-24-41)43-25-15-18-38(34-43)51-52-49-48-35-44(32-33-46(48)45-26-13-14-27-47(45)50(49)55-51)53(39-19-7-2-8-20-39)40-21-9-3-10-22-40/h1-35H
InChIKeyBYYKJNABTXHSKK-UHFFFAOYSA-N
XLogP14.41
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.86
LogP ≤ 514.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-diphenyl-2-[3-(N-(4-phenylphenyl)anilino)phenyl]phenanthro[10,9-d][1,3]oxazol-5-amine with MolForge

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Related Compounds

N-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-N,3-diphenylaniline
CID 171747683
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
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
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
2-[3-[N-dibenzofuran-2-yl-4-(2-phenylphenyl)anilino]phenyl]-N,N-diphenylphenanthro[10,9-d][1,3]oxazol-6-amine
CID 171747477
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
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-naphthalen-2-yl-N-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)naphthalen-2-amine
CID 171747678
N-dibenzofuran-3-yl-4-phenyl-N-(3-phenylphenyl)-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 170122349
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
2-naphthalen-2-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 158718429
1-N,3-N-diphenyl-1-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine
CID 171417058

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-2-[3-(N-(4-phenylphenyl)anilino)phenyl]phenanthro[10,9-d][1,3]oxazol-5-amine?
The IUPAC name of N,N-diphenyl-2-[3-(N-(4-phenylphenyl)anilino)phenyl]phenanthro[10,9-d][1,3]oxazol-5-amine (CID 171747533) is N,N-diphenyl-2-[3-(N-(4-phenylphenyl)anilino)phenyl]phenanthro[10,9-d][1,3]oxazol-5-amine.
What is the SMILES notation for N,N-diphenyl-2-[3-(N-(4-phenylphenyl)anilino)phenyl]phenanthro[10,9-d][1,3]oxazol-5-amine?
The canonical SMILES for N,N-diphenyl-2-[3-(N-(4-phenylphenyl)anilino)phenyl]phenanthro[10,9-d][1,3]oxazol-5-amine is c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4nc5c6cc(N(c7ccccc7)c7ccccc7)ccc6c6ccccc6c5o4)c3)cc2)cc1.
What is the InChIKey of N,N-diphenyl-2-[3-(N-(4-phenylphenyl)anilino)phenyl]phenanthro[10,9-d][1,3]oxazol-5-amine?
The InChIKey is BYYKJNABTXHSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3O/c1-5-16-36(17-6-1)37-28-30-42(31-29-37)54(41-23-11-4-12-24-41)43-25-15-18-38(34-43)51-52-49-48-35-44(32-33-46(48)45-26-13-14-27-47(45)50(49)55-51)53(39-19-7-2-8-20-39)40-21-9-3-10-22-40/h1-35H.
What are the key properties of N,N-diphenyl-2-[3-(N-(4-phenylphenyl)anilino)phenyl]phenanthro[10,9-d][1,3]oxazol-5-amine?
N,N-diphenyl-2-[3-(N-(4-phenylphenyl)anilino)phenyl]phenanthro[10,9-d][1,3]oxazol-5-amine has a molecular weight of 705.86 g/mol, XLogP of 14.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-2-[3-(N-(4-phenylphenyl)anilino)phenyl]phenanthro[10,9-d][1,3]oxazol-5-amine is sourced from PubChem (CID 171747533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).