(4-hydroxyphenyl)-[4-[4-[4-(N-(4-methoxyphenyl)-4-phenylanilino)phenyl]phenoxy]phenyl]methanone

C44H33NO4 — CID 71009635

IUPAC(4-hydroxyphenyl)-[4-[4-[4-(N-(4-methoxyphenyl)-4-phenylanilino)phenyl]phenoxy]phenyl]methanone
SMILESCOc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(Oc4ccc(C(=O)c5ccc(O)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C44H33NO4/c1-48-41-29-21-39(22-30-41)45(37-17-7-32(8-18-37)31-5-3-2-4-6-31)38-19-9-33(10-20-38)34-13-25-42(26-14-34)49-43-27-15-36(16-28-43)44(47)35-11-23-40(46)24-12-35/h2-30,46H,1H3
InChIKeyXJKPMXOUVDNUCN-UHFFFAOYSA-N
MW639.75 g/mol
LogP11.23
Rot. Bonds10

About (4-hydroxyphenyl)-[4-[4-[4-(N-(4-methoxyphenyl)-4-phenylanilino)phenyl]phenoxy]phenyl]methanone

(4-hydroxyphenyl)-[4-[4-[4-(N-(4-methoxyphenyl)-4-phenylanilino)phenyl]phenoxy]phenyl]methanone (PubChem CID 71009635) has the molecular formula C44H33NO4 and a molecular weight of 639.75 g/mol. Its IUPAC name is (4-hydroxyphenyl)-[4-[4-[4-(N-(4-methoxyphenyl)-4-phenylanilino)phenyl]phenoxy]phenyl]methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-[4-[4-[4-(N-(4-methoxyphenyl)-4-phenylanilino)phenyl]phenoxy]phenyl]methanone
PubChem CID71009635
Molecular FormulaC44H33NO4
Molecular Weight639.75 g/mol
Exact Mass639.24
IUPAC Name(4-hydroxyphenyl)-[4-[4-[4-(N-(4-methoxyphenyl)-4-phenylanilino)phenyl]phenoxy]phenyl]methanone
SMILESCOc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(Oc4ccc(C(=O)c5ccc(O)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C44H33NO4/c1-48-41-29-21-39(22-30-41)45(37-17-7-32(8-18-37)31-5-3-2-4-6-31)38-19-9-33(10-20-38)34-13-25-42(26-14-34)49-43-27-15-36(16-28-43)44(47)35-11-23-40(46)24-12-35/h2-30,46H,1H3
InChIKeyXJKPMXOUVDNUCN-UHFFFAOYSA-N
XLogP11.23
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.75
LogP ≤ 511.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxyphenyl)-[4-(4-phenylphenoxy)phenyl]methanone
CID 146206951
(4-hydroxyphenyl)-[4-[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]benzoyl]phenyl]methanone
CID 140957067
[4-[4-[N-[4-(N-(4-methoxyphenyl)anilino)phenyl]-4-[(Z)-2-phenylethenyl]anilino]phenoxy]phenyl]-(4-methylphenyl)methanone;toluene
CID 143103720
1-methoxy-4-phenylbenzene;4-(4-methoxyphenyl)phenol
CID 69347648
4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
CID 134445747
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
(4-methoxyphenyl)-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methanone;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]sulfonylphenoxy]phenyl]phenol
CID 157225733
benzene-1,4-diol;bis(4-fluorophenyl)methanone;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone
CID 158296808
[4-[4-(N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-methylphenyl)methanone;N-(4-methoxyphenyl)-4-[4-(N-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]anilino)phenyl]-N-phenylaniline;N-methyl-4-(4-methylphenyl)-N-phenylaniline;pentachloro-λ5-stibane;triphenylazanium;chloride
CID 158427813
(4-ethoxyphenyl)-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenoxy]phenyl]methanone
CID 71233054
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-[4-[4-[4-(N-(4-methoxyphenyl)-4-phenylanilino)phenyl]phenoxy]phenyl]methanone?
The IUPAC name of (4-hydroxyphenyl)-[4-[4-[4-(N-(4-methoxyphenyl)-4-phenylanilino)phenyl]phenoxy]phenyl]methanone (CID 71009635) is (4-hydroxyphenyl)-[4-[4-[4-(N-(4-methoxyphenyl)-4-phenylanilino)phenyl]phenoxy]phenyl]methanone.
What is the SMILES notation for (4-hydroxyphenyl)-[4-[4-[4-(N-(4-methoxyphenyl)-4-phenylanilino)phenyl]phenoxy]phenyl]methanone?
The canonical SMILES for (4-hydroxyphenyl)-[4-[4-[4-(N-(4-methoxyphenyl)-4-phenylanilino)phenyl]phenoxy]phenyl]methanone is COc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(Oc4ccc(C(=O)c5ccc(O)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of (4-hydroxyphenyl)-[4-[4-[4-(N-(4-methoxyphenyl)-4-phenylanilino)phenyl]phenoxy]phenyl]methanone?
The InChIKey is XJKPMXOUVDNUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33NO4/c1-48-41-29-21-39(22-30-41)45(37-17-7-32(8-18-37)31-5-3-2-4-6-31)38-19-9-33(10-20-38)34-13-25-42(26-14-34)49-43-27-15-36(16-28-43)44(47)35-11-23-40(46)24-12-35/h2-30,46H,1H3.
What are the key properties of (4-hydroxyphenyl)-[4-[4-[4-(N-(4-methoxyphenyl)-4-phenylanilino)phenyl]phenoxy]phenyl]methanone?
(4-hydroxyphenyl)-[4-[4-[4-(N-(4-methoxyphenyl)-4-phenylanilino)phenyl]phenoxy]phenyl]methanone has a molecular weight of 639.75 g/mol, XLogP of 11.23, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-[4-[4-[4-(N-(4-methoxyphenyl)-4-phenylanilino)phenyl]phenoxy]phenyl]methanone is sourced from PubChem (CID 71009635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).