bis[3,5-bis[3-(3,5-dimethylphenoxy)phenyl]phenyl]methanone

C69H58O5 — CID 58240053

IUPACbis[3,5-bis[3-(3,5-dimethylphenoxy)phenyl]phenyl]methanone
SMILESCc1cc(C)cc(Oc2cccc(-c3cc(C(=O)c4cc(-c5cccc(Oc6cc(C)cc(C)c6)c5)cc(-c5cccc(Oc6cc(C)cc(C)c6)c5)c4)cc(-c4cccc(Oc5cc(C)cc(C)c5)c4)c3)c2)c1
InChIInChI=1S/C69H58O5/c1-43-21-44(2)26-65(25-43)71-61-17-9-13-51(39-61)55-33-56(52-14-10-18-62(40-52)72-66-27-45(3)22-46(4)28-66)36-59(35-55)69(70)60-37-57(53-15-11-19-63(41-53)73-67-29-47(5)23-48(6)30-67)34-58(38-60)54-16-12-20-64(42-54)74-68-31-49(7)24-50(8)32-68/h9-42H,1-8H3
InChIKeyIEIZSFVLDNYKAQ-UHFFFAOYSA-N
MW967.22 g/mol
LogP19.22
Rot. Bonds14

About bis[3,5-bis[3-(3,5-dimethylphenoxy)phenyl]phenyl]methanone

bis[3,5-bis[3-(3,5-dimethylphenoxy)phenyl]phenyl]methanone (PubChem CID 58240053) has the molecular formula C69H58O5 and a molecular weight of 967.22 g/mol. Its IUPAC name is bis[3,5-bis[3-(3,5-dimethylphenoxy)phenyl]phenyl]methanone.

Molecular Properties

Compound Namebis[3,5-bis[3-(3,5-dimethylphenoxy)phenyl]phenyl]methanone
PubChem CID58240053
Molecular FormulaC69H58O5
Molecular Weight967.22 g/mol
Exact Mass966.43
IUPAC Namebis[3,5-bis[3-(3,5-dimethylphenoxy)phenyl]phenyl]methanone
SMILESCc1cc(C)cc(Oc2cccc(-c3cc(C(=O)c4cc(-c5cccc(Oc6cc(C)cc(C)c6)c5)cc(-c5cccc(Oc6cc(C)cc(C)c6)c5)c4)cc(-c4cccc(Oc5cc(C)cc(C)c5)c4)c3)c2)c1
InChIInChI=1S/C69H58O5/c1-43-21-44(2)26-65(25-43)71-61-17-9-13-51(39-61)55-33-56(52-14-10-18-62(40-52)72-66-27-45(3)22-46(4)28-66)36-59(35-55)69(70)60-37-57(53-15-11-19-63(41-53)73-67-29-47(5)23-48(6)30-67)34-58(38-60)54-16-12-20-64(42-54)74-68-31-49(7)24-50(8)32-68/h9-42H,1-8H3
InChIKeyIEIZSFVLDNYKAQ-UHFFFAOYSA-N
XLogP19.22
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.22
LogP ≤ 519.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-benzoyl-5-(3,5-dibenzoylbenzoyl)phenyl]-phenylmethanone;bis[3,5-bis[3-(3,5-dimethylphenoxy)phenyl]phenyl]methanone;[3-[3,5-bis(3,5-dimethylbenzoyl)benzoyl]-5-(3,5-dimethylbenzoyl)phenyl]-(3,5-dimethylphenyl)methanone;[3-[3,5-bis(3-phenylbenzoyl)benzoyl]-5-(3-phenylbenzoyl)phenyl]-(3-phenylphenyl)methanone;[3-[3,5-bis(4-phenylbenzoyl)benzoyl]-5-(4-phenylbenzoyl)phenyl]-(4-phenylphenyl)methanone
CID 159509626
bis[3,5-bis(3,5-diphenoxyphenyl)phenyl]methanone
CID 58240025
bis[4-[4-(3,5-dimethylphenoxy)phenoxy]phenyl]methanone
CID 118474101
bis[3-(3,5-diphenylphenyl)-5-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]methanone
CID 58299054
[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-(3,5-diphenylphenyl)methanone
CID 58299161
[4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 90192164
3-[3-(3-carboxyphenyl)-5-methylphenyl]benzoic acid
CID 163197733
1-methyl-3-[3-(3-phenoxyphenyl)phenyl]benzene
CID 134391841
1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene
CID 140841473
3-[3-(3-amino-5-methylphenoxy)phenoxy]-5-methylaniline
CID 19762800
2-[3-(3-methyl-5-pyridin-2-ylphenoxy)phenyl]pyridine
CID 142562263
bis(3,5-dimethylphenyl)methanone
CID 15640171

Frequently Asked Questions

What is the IUPAC name of bis[3,5-bis[3-(3,5-dimethylphenoxy)phenyl]phenyl]methanone?
The IUPAC name of bis[3,5-bis[3-(3,5-dimethylphenoxy)phenyl]phenyl]methanone (CID 58240053) is bis[3,5-bis[3-(3,5-dimethylphenoxy)phenyl]phenyl]methanone.
What is the SMILES notation for bis[3,5-bis[3-(3,5-dimethylphenoxy)phenyl]phenyl]methanone?
The canonical SMILES for bis[3,5-bis[3-(3,5-dimethylphenoxy)phenyl]phenyl]methanone is Cc1cc(C)cc(Oc2cccc(-c3cc(C(=O)c4cc(-c5cccc(Oc6cc(C)cc(C)c6)c5)cc(-c5cccc(Oc6cc(C)cc(C)c6)c5)c4)cc(-c4cccc(Oc5cc(C)cc(C)c5)c4)c3)c2)c1.
What is the InChIKey of bis[3,5-bis[3-(3,5-dimethylphenoxy)phenyl]phenyl]methanone?
The InChIKey is IEIZSFVLDNYKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H58O5/c1-43-21-44(2)26-65(25-43)71-61-17-9-13-51(39-61)55-33-56(52-14-10-18-62(40-52)72-66-27-45(3)22-46(4)28-66)36-59(35-55)69(70)60-37-57(53-15-11-19-63(41-53)73-67-29-47(5)23-48(6)30-67)34-58(38-60)54-16-12-20-64(42-54)74-68-31-49(7)24-50(8)32-68/h9-42H,1-8H3.
What are the key properties of bis[3,5-bis[3-(3,5-dimethylphenoxy)phenyl]phenyl]methanone?
bis[3,5-bis[3-(3,5-dimethylphenoxy)phenyl]phenyl]methanone has a molecular weight of 967.22 g/mol, XLogP of 19.22, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3,5-bis[3-(3,5-dimethylphenoxy)phenyl]phenyl]methanone is sourced from PubChem (CID 58240053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).