bis(carbonochloridic acid);4-[1-[2-(4-carbonochloridoylphenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzoyl chloride

C36H22Cl4O8 — CID 23064662

IUPACbis(carbonochloridic acid);4-[1-[2-(4-carbonochloridoylphenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzoyl chloride
SMILESO=C(Cl)c1ccc(Oc2ccc3ccccc3c2-c2c(Oc3ccc(C(=O)Cl)cc3)ccc3ccccc23)cc1.O=C(O)Cl.O=C(O)Cl
InChIInChI=1S/C34H20Cl2O4.2CHClO2/c35-33(37)23-9-15-25(16-10-23)39-29-19-13-21-5-1-3-7-27(21)31(29)32-28-8-4-2-6-22(28)14-20-30(32)40-26-17-11-24(12-18-26)34(36)38;2*2-1(3)4/h1-20H;2*(H,3,4)
InChIKeyQZQOOFSSDMRVRY-UHFFFAOYSA-N
MW724.38 g/mol
LogP11.81
Rot. Bonds7

About bis(carbonochloridic acid);4-[1-[2-(4-carbonochloridoylphenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzoyl chloride

bis(carbonochloridic acid);4-[1-[2-(4-carbonochloridoylphenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzoyl chloride (PubChem CID 23064662) has the molecular formula C36H22Cl4O8 and a molecular weight of 724.38 g/mol. Its IUPAC name is bis(carbonochloridic acid);4-[1-[2-(4-carbonochloridoylphenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzoyl chloride.

Molecular Properties

Compound Namebis(carbonochloridic acid);4-[1-[2-(4-carbonochloridoylphenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzoyl chloride
PubChem CID23064662
Molecular FormulaC36H22Cl4O8
Molecular Weight724.38 g/mol
Exact Mass722.01
IUPAC Namebis(carbonochloridic acid);4-[1-[2-(4-carbonochloridoylphenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzoyl chloride
SMILESO=C(Cl)c1ccc(Oc2ccc3ccccc3c2-c2c(Oc3ccc(C(=O)Cl)cc3)ccc3ccccc23)cc1.O=C(O)Cl.O=C(O)Cl
InChIInChI=1S/C34H20Cl2O4.2CHClO2/c35-33(37)23-9-15-25(16-10-23)39-29-19-13-21-5-1-3-7-27(21)31(29)32-28-8-4-2-6-22(28)14-20-30(32)40-26-17-11-24(12-18-26)34(36)38;2*2-1(3)4/h1-20H;2*(H,3,4)
InChIKeyQZQOOFSSDMRVRY-UHFFFAOYSA-N
XLogP11.81
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.38
LogP ≤ 511.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[2-(4-carboxyphenoxy)-6-phenanthren-9-ylnaphthalen-1-yl]-6-phenanthren-9-ylnaphthalen-2-yl]oxybenzoic acid
CID 171488767
4-(4-phenylphenoxy)benzoyl chloride
CID 23319474
4-[4-(4-carbonochloridoylphenoxy)-3-phenylphenoxy]benzoyl chloride
CID 101011694
2-[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride
CID 25112232
4-naphthalen-1-yloxybenzoyl fluoride
CID 54185707
[4-[1-[2-[4-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]benzoyl]phenoxy]naphthalen-1-yl]naphthalen-2-yl]oxyphenyl]-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]methanone
CID 101143931
2-naphthalen-1-yloxy-1-(2-naphthalen-1-yloxynaphthalen-1-yl)naphthalene
CID 58689928
CID 58090275
CID 58090275
[4-[4-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-chlorophenyl)methanone
CID 59847037
2-methoxynaphthalene-1-carbonyl chloride
CID 3016662
5-(6-carbonochloridoyl-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carbonyl chloride
CID 101085823
[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl] carbonochloridate
CID 143840570

Frequently Asked Questions

What is the IUPAC name of bis(carbonochloridic acid);4-[1-[2-(4-carbonochloridoylphenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzoyl chloride?
The IUPAC name of bis(carbonochloridic acid);4-[1-[2-(4-carbonochloridoylphenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzoyl chloride (CID 23064662) is bis(carbonochloridic acid);4-[1-[2-(4-carbonochloridoylphenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzoyl chloride.
What is the SMILES notation for bis(carbonochloridic acid);4-[1-[2-(4-carbonochloridoylphenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzoyl chloride?
The canonical SMILES for bis(carbonochloridic acid);4-[1-[2-(4-carbonochloridoylphenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzoyl chloride is O=C(Cl)c1ccc(Oc2ccc3ccccc3c2-c2c(Oc3ccc(C(=O)Cl)cc3)ccc3ccccc23)cc1.O=C(O)Cl.O=C(O)Cl.
What is the InChIKey of bis(carbonochloridic acid);4-[1-[2-(4-carbonochloridoylphenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzoyl chloride?
The InChIKey is QZQOOFSSDMRVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20Cl2O4.2CHClO2/c35-33(37)23-9-15-25(16-10-23)39-29-19-13-21-5-1-3-7-27(21)31(29)32-28-8-4-2-6-22(28)14-20-30(32)40-26-17-11-24(12-18-26)34(36)38;2*2-1(3)4/h1-20H;2*(H,3,4).
What are the key properties of bis(carbonochloridic acid);4-[1-[2-(4-carbonochloridoylphenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzoyl chloride?
bis(carbonochloridic acid);4-[1-[2-(4-carbonochloridoylphenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzoyl chloride has a molecular weight of 724.38 g/mol, XLogP of 11.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(carbonochloridic acid);4-[1-[2-(4-carbonochloridoylphenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzoyl chloride is sourced from PubChem (CID 23064662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).