1-methyl-4-propan-2-ylbenzene;(2,4,6-tritert-butylphenyl)phosphanylideneosmium;triphenylphosphane

C46H58OsP2 — CID 134984697

IUPAC1-methyl-4-propan-2-ylbenzene;(2,4,6-tritert-butylphenyl)phosphanylideneosmium;triphenylphosphane
SMILESCC(C)(C)c1cc(C(C)(C)C)c(P=[Os])c(C(C)(C)C)c1.Cc1ccc(C(C)C)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C18H29P.C10H14.Os/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9;1-8(2)10-6-4-9(3)5-7-10;/h1-15H;10-11H,1-9H3;4-8H,1-3H3;
InChIKeyXFIMNMJZSSQTAB-UHFFFAOYSA-N
MW863.15 g/mol
LogP12.18
Rot. Bonds5

About 1-methyl-4-propan-2-ylbenzene;(2,4,6-tritert-butylphenyl)phosphanylideneosmium;triphenylphosphane

1-methyl-4-propan-2-ylbenzene;(2,4,6-tritert-butylphenyl)phosphanylideneosmium;triphenylphosphane (PubChem CID 134984697) has the molecular formula C46H58OsP2 and a molecular weight of 863.15 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylbenzene;(2,4,6-tritert-butylphenyl)phosphanylideneosmium;triphenylphosphane.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylbenzene;(2,4,6-tritert-butylphenyl)phosphanylideneosmium;triphenylphosphane
PubChem CID134984697
Molecular FormulaC46H58OsP2
Molecular Weight863.15 g/mol
Exact Mass864.36
IUPAC Name1-methyl-4-propan-2-ylbenzene;(2,4,6-tritert-butylphenyl)phosphanylideneosmium;triphenylphosphane
SMILESCC(C)(C)c1cc(C(C)(C)C)c(P=[Os])c(C(C)(C)C)c1.Cc1ccc(C(C)C)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C18H29P.C10H14.Os/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9;1-8(2)10-6-4-9(3)5-7-10;/h1-15H;10-11H,1-9H3;4-8H,1-3H3;
InChIKeyXFIMNMJZSSQTAB-UHFFFAOYSA-N
XLogP12.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.15
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzene;carbon monoxide;(2,4,6-tritert-butylphenyl)phosphanylideneosmium
CID 134984450
lithium diphenyl-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phosphane
CID 177462809
(4-methylphenyl)-[4-[(4-methylphenyl)-phenylphosphanyl]phenyl]-phenylphosphane
CID 141372825
cumene;ethane;methane;1-methyl-4-propan-2-ylbenzene
CID 159265894
aniline;1-methyl-4-propan-2-ylbenzene
CID 19435769
2,2-dimethylpropane;triphenylphosphane
CID 143924519
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
5-(4-tert-butylphenyl)-2,8-dimethyl-6,12-diphenyl-11-(4-propan-2-ylphenyl)tetracene
CID 162426485
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;1-methyl-4-propan-2-ylbenzene;ruthenium;dihydrochloride
CID 176507684
1-tert-butyl-2-(4-propan-2-ylphenyl)benzene
CID 58258601
phenyl-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane
CID 13086218
[2,3-bis[bromo(phenyl)methyl]-4-(2,4,6-tritert-butylphenyl)phosphanylidenecyclobut-2-en-1-ylidene]-(2,4,6-tritert-butylphenyl)phosphane
CID 134888306

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylbenzene;(2,4,6-tritert-butylphenyl)phosphanylideneosmium;triphenylphosphane?
The IUPAC name of 1-methyl-4-propan-2-ylbenzene;(2,4,6-tritert-butylphenyl)phosphanylideneosmium;triphenylphosphane (CID 134984697) is 1-methyl-4-propan-2-ylbenzene;(2,4,6-tritert-butylphenyl)phosphanylideneosmium;triphenylphosphane.
What is the SMILES notation for 1-methyl-4-propan-2-ylbenzene;(2,4,6-tritert-butylphenyl)phosphanylideneosmium;triphenylphosphane?
The canonical SMILES for 1-methyl-4-propan-2-ylbenzene;(2,4,6-tritert-butylphenyl)phosphanylideneosmium;triphenylphosphane is CC(C)(C)c1cc(C(C)(C)C)c(P=[Os])c(C(C)(C)C)c1.Cc1ccc(C(C)C)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-methyl-4-propan-2-ylbenzene;(2,4,6-tritert-butylphenyl)phosphanylideneosmium;triphenylphosphane?
The InChIKey is XFIMNMJZSSQTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C18H29P.C10H14.Os/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9;1-8(2)10-6-4-9(3)5-7-10;/h1-15H;10-11H,1-9H3;4-8H,1-3H3;.
What are the key properties of 1-methyl-4-propan-2-ylbenzene;(2,4,6-tritert-butylphenyl)phosphanylideneosmium;triphenylphosphane?
1-methyl-4-propan-2-ylbenzene;(2,4,6-tritert-butylphenyl)phosphanylideneosmium;triphenylphosphane has a molecular weight of 863.15 g/mol, XLogP of 12.18, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylbenzene;(2,4,6-tritert-butylphenyl)phosphanylideneosmium;triphenylphosphane is sourced from PubChem (CID 134984697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).