(4-ethoxyphenyl)-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenoxy]phenyl]methanone;phosphane

C46H41N2O3P — CID 159786480

IUPAC(4-ethoxyphenyl)-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenoxy]phenyl]methanone;phosphane
SMILESCCOc1ccc(C(=O)c2ccc(Oc3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccc(C)cc5)cc4)cc3)cc2)cc1.P
InChIInChI=1S/C46H38N2O3.H3P/c1-3-50-43-28-16-35(17-29-43)46(49)36-18-30-44(31-19-36)51-45-32-26-42(27-33-45)48(38-12-8-5-9-13-38)41-24-22-40(23-25-41)47(37-10-6-4-7-11-37)39-20-14-34(2)15-21-39;/h4-33H,3H2,1-2H3;1H3
InChIKeyNHZXHMJAAHGSKX-UHFFFAOYSA-N
MW700.82 g/mol
LogP12.41
Rot. Bonds12

About (4-ethoxyphenyl)-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenoxy]phenyl]methanone;phosphane

(4-ethoxyphenyl)-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenoxy]phenyl]methanone;phosphane (PubChem CID 159786480) has the molecular formula C46H41N2O3P and a molecular weight of 700.82 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenoxy]phenyl]methanone;phosphane.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenoxy]phenyl]methanone;phosphane
PubChem CID159786480
Molecular FormulaC46H41N2O3P
Molecular Weight700.82 g/mol
Exact Mass700.29
IUPAC Name(4-ethoxyphenyl)-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenoxy]phenyl]methanone;phosphane
SMILESCCOc1ccc(C(=O)c2ccc(Oc3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccc(C)cc5)cc4)cc3)cc2)cc1.P
InChIInChI=1S/C46H38N2O3.H3P/c1-3-50-43-28-16-35(17-29-43)46(49)36-18-30-44(31-19-36)51-45-32-26-42(27-33-45)48(38-12-8-5-9-13-38)41-24-22-40(23-25-41)47(37-10-6-4-7-11-37)39-20-14-34(2)15-21-39;/h4-33H,3H2,1-2H3;1H3
InChIKeyNHZXHMJAAHGSKX-UHFFFAOYSA-N
XLogP12.41
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.82
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-ethoxyphenyl)-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenoxy]phenyl]methanone
CID 71233054
[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572
[4-[4-[N-[4-(N-(4-methoxyphenyl)anilino)phenyl]-4-[(Z)-2-phenylethenyl]anilino]phenoxy]phenyl]-(4-methylphenyl)methanone;toluene
CID 143103720
(4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone
CID 58133171
4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
(4-benzoylphenyl) 2-[4-(4-methylphenoxy)phenoxy]acetate
CID 23828217
N-(4-ethoxyphenyl)-4-methoxy-N-(4-phenoxyphenyl)aniline
CID 54107387
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 18428766
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
(4-hydroxyphenyl)-[4-[4-[4-(N-(4-methoxyphenyl)-4-phenylanilino)phenyl]phenoxy]phenyl]methanone
CID 71009635
N-[4-[4-(N-methylanilino)phenoxy]phenyl]-4-(4-methylphenyl)-N-phenylaniline
CID 23593163

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenoxy]phenyl]methanone;phosphane?
The IUPAC name of (4-ethoxyphenyl)-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenoxy]phenyl]methanone;phosphane (CID 159786480) is (4-ethoxyphenyl)-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenoxy]phenyl]methanone;phosphane.
What is the SMILES notation for (4-ethoxyphenyl)-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenoxy]phenyl]methanone;phosphane?
The canonical SMILES for (4-ethoxyphenyl)-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenoxy]phenyl]methanone;phosphane is CCOc1ccc(C(=O)c2ccc(Oc3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccc(C)cc5)cc4)cc3)cc2)cc1.P.
What is the InChIKey of (4-ethoxyphenyl)-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenoxy]phenyl]methanone;phosphane?
The InChIKey is NHZXHMJAAHGSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38N2O3.H3P/c1-3-50-43-28-16-35(17-29-43)46(49)36-18-30-44(31-19-36)51-45-32-26-42(27-33-45)48(38-12-8-5-9-13-38)41-24-22-40(23-25-41)47(37-10-6-4-7-11-37)39-20-14-34(2)15-21-39;/h4-33H,3H2,1-2H3;1H3.
What are the key properties of (4-ethoxyphenyl)-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenoxy]phenyl]methanone;phosphane?
(4-ethoxyphenyl)-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenoxy]phenyl]methanone;phosphane has a molecular weight of 700.82 g/mol, XLogP of 12.41, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenoxy]phenyl]methanone;phosphane is sourced from PubChem (CID 159786480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).