N-[3-(2,5-diphenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-phenylnaphthalen-1-amine

C49H34N2O — CID 166889542

IUPACN-[3-(2,5-diphenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(-c2ccc3c(c2)c2c(c4cc(-c5cccc(N(c6ccccc6)c6cccc7ccccc67)c5)ccc43)OC(c3ccccc3)N2)cc1
InChIInChI=1S/C49H34N2O/c1-4-14-33(15-5-1)37-26-28-42-43-29-27-38(32-45(43)48-47(44(42)31-37)50-49(52-48)35-17-6-2-7-18-35)36-20-12-23-40(30-36)51(39-21-8-3-9-22-39)46-25-13-19-34-16-10-11-24-41(34)46/h1-32,49-50H
InChIKeyQIFDIOZDJZDKBN-UHFFFAOYSA-N
MW666.82 g/mol
LogP13.45
Rot. Bonds6

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

N-[3-(2,5-diphenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 166889542) has the molecular formula C49H34N2O and a molecular weight of 666.82 g/mol. Its IUPAC name is N-[3-(2,5-diphenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[3-(2,5-diphenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-phenylnaphthalen-1-amine
PubChem CID166889542
Molecular FormulaC49H34N2O
Molecular Weight666.82 g/mol
Exact Mass666.27
IUPAC NameN-[3-(2,5-diphenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(-c2ccc3c(c2)c2c(c4cc(-c5cccc(N(c6ccccc6)c6cccc7ccccc67)c5)ccc43)OC(c3ccccc3)N2)cc1
InChIInChI=1S/C49H34N2O/c1-4-14-33(15-5-1)37-26-28-42-43-29-27-38(32-45(43)48-47(44(42)31-37)50-49(52-48)35-17-6-2-7-18-35)36-20-12-23-40(30-36)51(39-21-8-3-9-22-39)46-25-13-19-34-16-10-11-24-41(34)46/h1-32,49-50H
InChIKeyQIFDIOZDJZDKBN-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-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
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-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]naphthalen-2-amine
CID 166889557
N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-9-yl)phenyl]naphthalen-2-amine
CID 166889312
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
2-naphthalen-1-yl-N-phenyl-N-(4-phenylphenyl)-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-amine
CID 166889691
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-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
N-[4-[4-[4-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 143438558
N-phenyl-N-[3-(8-phenyldibenzofuran-2-yl)phenyl]naphthalen-1-amine
CID 121296588

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-diphenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[3-(2,5-diphenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-phenylnaphthalen-1-amine (CID 166889542) is N-[3-(2,5-diphenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[3-(2,5-diphenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[3-(2,5-diphenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-phenylnaphthalen-1-amine is c1ccc(-c2ccc3c(c2)c2c(c4cc(-c5cccc(N(c6ccccc6)c6cccc7ccccc67)c5)ccc43)OC(c3ccccc3)N2)cc1.
What is the InChIKey of N-[3-(2,5-diphenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is QIFDIOZDJZDKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2O/c1-4-14-33(15-5-1)37-26-28-42-43-29-27-38(32-45(43)48-47(44(42)31-37)50-49(52-48)35-17-6-2-7-18-35)36-20-12-23-40(30-36)51(39-21-8-3-9-22-39)46-25-13-19-34-16-10-11-24-41(34)46/h1-32,49-50H.
What are the key properties of N-[3-(2,5-diphenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-phenylnaphthalen-1-amine?
N-[3-(2,5-diphenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-phenylnaphthalen-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-[3-(2,5-diphenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 166889542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).