benzene;carbon monoxide;(2,4,6-tritert-butylphenyl)phosphanylideneosmium

C25H35OOsP — CID 134984450

IUPACbenzene;carbon monoxide;(2,4,6-tritert-butylphenyl)phosphanylideneosmium
SMILESCC(C)(C)c1cc(C(C)(C)C)c(P=[Os])c(C(C)(C)C)c1.[C-]#[O+].c1ccccc1
InChIInChI=1S/C18H29P.C6H6.CO.Os/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9;1-2-4-6-5-3-1;1-2;/h10-11H,1-9H3;1-6H;;
InChIKeyPGRDYMWNCFLVNZ-UHFFFAOYSA-N
MW572.76 g/mol
LogP7.26
Rot. Bonds1

About benzene;carbon monoxide;(2,4,6-tritert-butylphenyl)phosphanylideneosmium

benzene;carbon monoxide;(2,4,6-tritert-butylphenyl)phosphanylideneosmium (PubChem CID 134984450) has the molecular formula C25H35OOsP and a molecular weight of 572.76 g/mol. Its IUPAC name is benzene;carbon monoxide;(2,4,6-tritert-butylphenyl)phosphanylideneosmium.

Molecular Properties

Compound Namebenzene;carbon monoxide;(2,4,6-tritert-butylphenyl)phosphanylideneosmium
PubChem CID134984450
Molecular FormulaC25H35OOsP
Molecular Weight572.76 g/mol
Exact Mass574.20
IUPAC Namebenzene;carbon monoxide;(2,4,6-tritert-butylphenyl)phosphanylideneosmium
SMILESCC(C)(C)c1cc(C(C)(C)C)c(P=[Os])c(C(C)(C)C)c1.[C-]#[O+].c1ccccc1
InChIInChI=1S/C18H29P.C6H6.CO.Os/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9;1-2-4-6-5-3-1;1-2;/h10-11H,1-9H3;1-6H;;
InChIKeyPGRDYMWNCFLVNZ-UHFFFAOYSA-N
XLogP7.26
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.76
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-propan-2-ylbenzene;(2,4,6-tritert-butylphenyl)phosphanylideneosmium;triphenylphosphane
CID 134984697
phenyl-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane
CID 13086218
(2,4,6-tritert-butylphenyl)-(trimethylsilylmethylidene)phosphane
CID 12776595
[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
CID 11308565
CID 11308565
bromomethylidene-(2,4,6-tritert-butylphenyl)phosphane
CID 11003156
lithium diphenyl-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phosphane
CID 177462809
(2,4,6-tritert-butylphenyl)-[4-(2,4,6-tritert-butylphenyl)phosphanylidenebutylidene]phosphane
CID 101184918
(2,4,6-tritert-butylphenyl)-[[4-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phenyl]methylidene]phosphane
CID 15803042
1-phenylpenta-1,4-diyn-3-ylidene-(2,4,6-tritert-butylphenyl)phosphane
CID 54771244
1,2,3,5-tetratert-butylbenzene
CID 18679123
oxo-sulfido-(2,4,6-tritert-butylphenyl)azanium
CID 4079261

Frequently Asked Questions

What is the IUPAC name of benzene;carbon monoxide;(2,4,6-tritert-butylphenyl)phosphanylideneosmium?
The IUPAC name of benzene;carbon monoxide;(2,4,6-tritert-butylphenyl)phosphanylideneosmium (CID 134984450) is benzene;carbon monoxide;(2,4,6-tritert-butylphenyl)phosphanylideneosmium.
What is the SMILES notation for benzene;carbon monoxide;(2,4,6-tritert-butylphenyl)phosphanylideneosmium?
The canonical SMILES for benzene;carbon monoxide;(2,4,6-tritert-butylphenyl)phosphanylideneosmium is CC(C)(C)c1cc(C(C)(C)C)c(P=[Os])c(C(C)(C)C)c1.[C-]#[O+].c1ccccc1.
What is the InChIKey of benzene;carbon monoxide;(2,4,6-tritert-butylphenyl)phosphanylideneosmium?
The InChIKey is PGRDYMWNCFLVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29P.C6H6.CO.Os/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9;1-2-4-6-5-3-1;1-2;/h10-11H,1-9H3;1-6H;;.
What are the key properties of benzene;carbon monoxide;(2,4,6-tritert-butylphenyl)phosphanylideneosmium?
benzene;carbon monoxide;(2,4,6-tritert-butylphenyl)phosphanylideneosmium has a molecular weight of 572.76 g/mol, XLogP of 7.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;carbon monoxide;(2,4,6-tritert-butylphenyl)phosphanylideneosmium is sourced from PubChem (CID 134984450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).