6-[2-(3-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine

C36H24O6P2 — CID 162782238

IUPAC6-[2-(3-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine
SMILESc1cc(Op2oc3ccccc3c3ccccc3o2)cc(-c2ccccc2Op2oc3ccccc3c3ccccc3o2)c1
InChIInChI=1S/C36H24O6P2/c1-6-19-32(38-44-41-35-22-9-4-17-30(35)31-18-5-10-23-36(31)42-44)27(14-1)25-12-11-13-26(24-25)37-43-39-33-20-7-2-15-28(33)29-16-3-8-21-34(29)40-43/h1-24H
InChIKeyDDLMYLFSAZIGCI-UHFFFAOYSA-N
MW614.53 g/mol
LogP12.24
Rot. Bonds5

About 6-[2-(3-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine

6-[2-(3-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 162782238) has the molecular formula C36H24O6P2 and a molecular weight of 614.53 g/mol. Its IUPAC name is 6-[2-(3-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

Compound Name6-[2-(3-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine
PubChem CID162782238
Molecular FormulaC36H24O6P2
Molecular Weight614.53 g/mol
Exact Mass614.10
IUPAC Name6-[2-(3-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine
SMILESc1cc(Op2oc3ccccc3c3ccccc3o2)cc(-c2ccccc2Op2oc3ccccc3c3ccccc3o2)c1
InChIInChI=1S/C36H24O6P2/c1-6-19-32(38-44-41-35-22-9-4-17-30(35)31-18-5-10-23-36(31)42-44)27(14-1)25-12-11-13-26(24-25)37-43-39-33-20-7-2-15-28(33)29-16-3-8-21-34(29)40-43/h1-24H
InChIKeyDDLMYLFSAZIGCI-UHFFFAOYSA-N
XLogP12.24
TPSA71.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.53
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[2-(3-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine with MolForge

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Related Compounds

6-naphthalen-1-yloxybenzo[d][1,3,2]benzodioxaphosphepine
CID 14637273
1,8-bis(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy)anthracene-9,10-dione
CID 58931655
6-(2-tert-butyl-4-methylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine
CID 14637270
[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]-diphenylphosphane;[2-(2-diphenylphosphanyloxy-3,5-dimethylphenyl)-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite;[2-(2-diphenylphosphanyloxy-3,4,6-trimethylphenyl)-3,5,6-trimethylphenyl] bis(2-methylphenyl) phosphite
CID 159576556
13-[3-(8,11-diphenyl-1-phosphatricyclo[6.2.2.02,7]dodeca-2,4,6,9,11-pentaen-10-yl)phenoxy]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 134939442
1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 90265769
6-[2-(6-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5,5-ditert-butyl-3-methoxycyclohexa-1,3-dien-1-yl)-4-methoxyphenoxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 163529141
2-[3-bromo-5-(2,3-diphenylphenoxy)phenyl]dibenzofuran
CID 169042427
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
2-methoxy-1-[3-methoxy-4-(3-methoxyphenyl)phenyl]-4-(2-methoxyphenyl)benzene
CID 174295636
6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxy-3-methylphenyl)-4-methoxy-6-methylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;(2,4-dimethylphenoxy)-[2-(2,4-dimethylphenoxy)phosphanyloxyethoxy]phosphane
CID 91457715
6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-6-bromo-3,5-dimethylphenyl)-3-bromo-4,6-dimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 59931122

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine?
The IUPAC name of 6-[2-(3-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine (CID 162782238) is 6-[2-(3-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine.
What is the SMILES notation for 6-[2-(3-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine?
The canonical SMILES for 6-[2-(3-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine is c1cc(Op2oc3ccccc3c3ccccc3o2)cc(-c2ccccc2Op2oc3ccccc3c3ccccc3o2)c1.
What is the InChIKey of 6-[2-(3-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine?
The InChIKey is DDLMYLFSAZIGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24O6P2/c1-6-19-32(38-44-41-35-22-9-4-17-30(35)31-18-5-10-23-36(31)42-44)27(14-1)25-12-11-13-26(24-25)37-43-39-33-20-7-2-15-28(33)29-16-3-8-21-34(29)40-43/h1-24H.
What are the key properties of 6-[2-(3-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine?
6-[2-(3-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 614.53 g/mol, XLogP of 12.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 162782238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).