bis(1,1'-biphenyl);carbonic acid;bis(triphenylphosphane)

C61H52O3P2 — CID 173130885

IUPACbis(1,1'-biphenyl);carbonic acid;bis(triphenylphosphane)
SMILESO=C(O)O.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.2C12H10.CH2O3/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;2-1(3)4/h2*1-15H;2*1-10H;(H2,2,3,4)
InChIKeyYROKCFYHRPBGSZ-UHFFFAOYSA-N
MW895.03 g/mol
LogP13.82
Rot. Bonds8

About bis(1,1'-biphenyl);carbonic acid;bis(triphenylphosphane)

bis(1,1'-biphenyl);carbonic acid;bis(triphenylphosphane) (PubChem CID 173130885) has the molecular formula C61H52O3P2 and a molecular weight of 895.03 g/mol. Its IUPAC name is bis(1,1'-biphenyl);carbonic acid;bis(triphenylphosphane).

Molecular Properties

Compound Namebis(1,1'-biphenyl);carbonic acid;bis(triphenylphosphane)
PubChem CID173130885
Molecular FormulaC61H52O3P2
Molecular Weight895.03 g/mol
Exact Mass894.34
IUPAC Namebis(1,1'-biphenyl);carbonic acid;bis(triphenylphosphane)
SMILESO=C(O)O.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.2C12H10.CH2O3/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;2-1(3)4/h2*1-15H;2*1-10H;(H2,2,3,4)
InChIKeyYROKCFYHRPBGSZ-UHFFFAOYSA-N
XLogP13.82
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.03
LogP ≤ 513.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1'-biphenyl;phenol;triphenylphosphane
CID 173130424
carbonyl dichloride;bis(triphenylphosphane)
CID 87775041
1,1'-biphenyl;bis(4-diphenylphosphanylphenol)
CID 172747492
triphenylphosphane
CID 139056248
acetic acid;triphenylphosphane;hydrochloride
CID 87530977
propan-2-one;triphenylphosphane;hydrate
CID 118484852
bis(1,1'-biphenyl);carbonate
CID 23514328
palladium(2+);triphenylphosphane;diacetate
CID 11554889
copper(1+);tris(triphenylphosphane);acetate
CID 56954258
copper(1+);bis(triphenylphosphane);acetate
CID 175797724
gold(3+);triphenylphosphane;triacetate
CID 160881940
platinum;triphenylphosphane
CID 159264630

Frequently Asked Questions

What is the IUPAC name of bis(1,1'-biphenyl);carbonic acid;bis(triphenylphosphane)?
The IUPAC name of bis(1,1'-biphenyl);carbonic acid;bis(triphenylphosphane) (CID 173130885) is bis(1,1'-biphenyl);carbonic acid;bis(triphenylphosphane).
What is the SMILES notation for bis(1,1'-biphenyl);carbonic acid;bis(triphenylphosphane)?
The canonical SMILES for bis(1,1'-biphenyl);carbonic acid;bis(triphenylphosphane) is O=C(O)O.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(1,1'-biphenyl);carbonic acid;bis(triphenylphosphane)?
The InChIKey is YROKCFYHRPBGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15P.2C12H10.CH2O3/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;2-1(3)4/h2*1-15H;2*1-10H;(H2,2,3,4).
What are the key properties of bis(1,1'-biphenyl);carbonic acid;bis(triphenylphosphane)?
bis(1,1'-biphenyl);carbonic acid;bis(triphenylphosphane) has a molecular weight of 895.03 g/mol, XLogP of 13.82, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1'-biphenyl);carbonic acid;bis(triphenylphosphane) is sourced from PubChem (CID 173130885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).