boric acid;tris((3,5-dimethoxyphenyl)phosphane);tetrakis(1,3,5-trimethylbenzene)

C60H84BO9P3 — CID 175358132

IUPACboric acid;tris((3,5-dimethoxyphenyl)phosphane);tetrakis(1,3,5-trimethylbenzene)
SMILESCOc1cc(P)cc(OC)c1.COc1cc(P)cc(OC)c1.COc1cc(P)cc(OC)c1.Cc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.OB(O)O
InChIInChI=1S/4C9H12.3C8H11O2P.BH3O3/c4*1-7-4-8(2)6-9(3)5-7;3*1-9-6-3-7(10-2)5-8(11)4-6;2-1(3)4/h4*4-6H,1-3H3;3*3-5H,11H2,1-2H3;2-4H
InChIKeyDLQQFXGTTICIBC-UHFFFAOYSA-N
MW1053.06 g/mol
LogP12.01
Rot. Bonds6

About boric acid;tris((3,5-dimethoxyphenyl)phosphane);tetrakis(1,3,5-trimethylbenzene)

boric acid;tris((3,5-dimethoxyphenyl)phosphane);tetrakis(1,3,5-trimethylbenzene) (PubChem CID 175358132) has the molecular formula C60H84BO9P3 and a molecular weight of 1053.06 g/mol. Its IUPAC name is boric acid;tris((3,5-dimethoxyphenyl)phosphane);tetrakis(1,3,5-trimethylbenzene).

Molecular Properties

Compound Nameboric acid;tris((3,5-dimethoxyphenyl)phosphane);tetrakis(1,3,5-trimethylbenzene)
PubChem CID175358132
Molecular FormulaC60H84BO9P3
Molecular Weight1053.06 g/mol
Exact Mass1052.54
IUPAC Nameboric acid;tris((3,5-dimethoxyphenyl)phosphane);tetrakis(1,3,5-trimethylbenzene)
SMILESCOc1cc(P)cc(OC)c1.COc1cc(P)cc(OC)c1.COc1cc(P)cc(OC)c1.Cc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.OB(O)O
InChIInChI=1S/4C9H12.3C8H11O2P.BH3O3/c4*1-7-4-8(2)6-9(3)5-7;3*1-9-6-3-7(10-2)5-8(11)4-6;2-1(3)4/h4*4-6H,1-3H3;3*3-5H,11H2,1-2H3;2-4H
InChIKeyDLQQFXGTTICIBC-UHFFFAOYSA-N
XLogP12.01
TPSA116.07 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001053.06
LogP ≤ 512.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(3,5-dimethoxyphenyl)phosphane
CID 23215298
1-methoxy-3,5-dimethylbenzene;sulfane
CID 175727345
1,3-dimethoxy-5-methylbenzene;methane
CID 142906999
phosphane;1,3,5-trimethoxybenzene
CID 175232895
3-methoxy-5-methylbenzenethiol
CID 22504719
(4-methoxy-2,6-dimethylphenyl)boronic acid
CID 3716303
bis(4-methoxy-2,6-dimethylphenyl)borinic acid
CID 3613563
1-methoxy-3,5-dimethylbenzene;sulfuryl dichloride
CID 87072267
methylboronic acid;tris(1,3,5-trimethylbenzene)
CID 158888379
2-(3-methoxy-5-methylphenoxy)ethanol
CID 59177464
2-(3,5-dimethoxyphenyl)-1,3,5-trimethylbenzene
CID 132567017
(3,5-dimethoxyphenoxy)-hydroperoxyborinic acid
CID 175394311

Frequently Asked Questions

What is the IUPAC name of boric acid;tris((3,5-dimethoxyphenyl)phosphane);tetrakis(1,3,5-trimethylbenzene)?
The IUPAC name of boric acid;tris((3,5-dimethoxyphenyl)phosphane);tetrakis(1,3,5-trimethylbenzene) (CID 175358132) is boric acid;tris((3,5-dimethoxyphenyl)phosphane);tetrakis(1,3,5-trimethylbenzene).
What is the SMILES notation for boric acid;tris((3,5-dimethoxyphenyl)phosphane);tetrakis(1,3,5-trimethylbenzene)?
The canonical SMILES for boric acid;tris((3,5-dimethoxyphenyl)phosphane);tetrakis(1,3,5-trimethylbenzene) is COc1cc(P)cc(OC)c1.COc1cc(P)cc(OC)c1.COc1cc(P)cc(OC)c1.Cc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.OB(O)O.
What is the InChIKey of boric acid;tris((3,5-dimethoxyphenyl)phosphane);tetrakis(1,3,5-trimethylbenzene)?
The InChIKey is DLQQFXGTTICIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H12.3C8H11O2P.BH3O3/c4*1-7-4-8(2)6-9(3)5-7;3*1-9-6-3-7(10-2)5-8(11)4-6;2-1(3)4/h4*4-6H,1-3H3;3*3-5H,11H2,1-2H3;2-4H.
What are the key properties of boric acid;tris((3,5-dimethoxyphenyl)phosphane);tetrakis(1,3,5-trimethylbenzene)?
boric acid;tris((3,5-dimethoxyphenyl)phosphane);tetrakis(1,3,5-trimethylbenzene) has a molecular weight of 1053.06 g/mol, XLogP of 12.01, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;tris((3,5-dimethoxyphenyl)phosphane);tetrakis(1,3,5-trimethylbenzene) is sourced from PubChem (CID 175358132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).