(4-chlorophenyl)methylidene-(2,4,6-tritert-butylphenyl)phosphane

C25H34ClP — CID 101336362

IUPAC(4-chlorophenyl)methylidene-(2,4,6-tritert-butylphenyl)phosphane
SMILESCC(C)(C)c1cc(C(C)(C)C)c(/P=C/c2ccc(Cl)cc2)c(C(C)(C)C)c1
InChIInChI=1S/C25H34ClP/c1-23(2,3)18-14-20(24(4,5)6)22(21(15-18)25(7,8)9)27-16-17-10-12-19(26)13-11-17/h10-16H,1-9H3
InChIKeyDMQKNZTVPTXKCB-UHFFFAOYSA-N
MW400.97 g/mol
LogP7.65
Rot. Bonds2

About (4-chlorophenyl)methylidene-(2,4,6-tritert-butylphenyl)phosphane

(4-chlorophenyl)methylidene-(2,4,6-tritert-butylphenyl)phosphane (PubChem CID 101336362) has the molecular formula C25H34ClP and a molecular weight of 400.97 g/mol. Its IUPAC name is (4-chlorophenyl)methylidene-(2,4,6-tritert-butylphenyl)phosphane.

Molecular Properties

Compound Name(4-chlorophenyl)methylidene-(2,4,6-tritert-butylphenyl)phosphane
PubChem CID101336362
Molecular FormulaC25H34ClP
Molecular Weight400.97 g/mol
Exact Mass400.21
IUPAC Name(4-chlorophenyl)methylidene-(2,4,6-tritert-butylphenyl)phosphane
SMILESCC(C)(C)c1cc(C(C)(C)C)c(/P=C/c2ccc(Cl)cc2)c(C(C)(C)C)c1
InChIInChI=1S/C25H34ClP/c1-23(2,3)18-14-20(24(4,5)6)22(21(15-18)25(7,8)9)27-16-17-10-12-19(26)13-11-17/h10-16H,1-9H3
InChIKeyDMQKNZTVPTXKCB-UHFFFAOYSA-N
XLogP7.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.97
LogP ≤ 57.65
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

(2,4,6-tritert-butylphenyl)-[[4-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phenyl]methylidene]phosphane
CID 15803042
(2,4,6-tritert-butylphenyl)-(trimethylsilylmethylidene)phosphane
CID 12776595
bromomethylidene-(2,4,6-tritert-butylphenyl)phosphane
CID 11003156
(2,4,6-tritert-butylphenyl)-[4-(2,4,6-tritert-butylphenyl)phosphanylidenebutylidene]phosphane
CID 101184918
[2,3-bis(4-methoxyphenyl)-4-(2,4,6-tritert-butylphenyl)phosphanylidenecyclobut-2-en-1-ylidene]-(2,4,6-tritert-butylphenyl)phosphane
CID 11389161
bis(1-tert-butyl-4-chlorobenzene);hydrate
CID 91871679
phenyl-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane
CID 13086218
2,4-ditert-butyl-N-[1-(4-chlorophenyl)-2,2-dimethylpropyl]aniline
CID 10548169
2-tert-butyl-4-chloro-1-fluorobenzene
CID 58745497
1-tert-butyl-3,5-dichlorobenzene
CID 23557572
2,4-ditert-butyl-6-[(2,5-dichlorophenyl)diazenyl]phenol
CID 135980027
4-chloro-2-[(3,5-ditert-butyl-2-methoxyphenyl)diazenyl]aniline
CID 130285815

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methylidene-(2,4,6-tritert-butylphenyl)phosphane?
The IUPAC name of (4-chlorophenyl)methylidene-(2,4,6-tritert-butylphenyl)phosphane (CID 101336362) is (4-chlorophenyl)methylidene-(2,4,6-tritert-butylphenyl)phosphane.
What is the SMILES notation for (4-chlorophenyl)methylidene-(2,4,6-tritert-butylphenyl)phosphane?
The canonical SMILES for (4-chlorophenyl)methylidene-(2,4,6-tritert-butylphenyl)phosphane is CC(C)(C)c1cc(C(C)(C)C)c(/P=C/c2ccc(Cl)cc2)c(C(C)(C)C)c1.
What is the InChIKey of (4-chlorophenyl)methylidene-(2,4,6-tritert-butylphenyl)phosphane?
The InChIKey is DMQKNZTVPTXKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34ClP/c1-23(2,3)18-14-20(24(4,5)6)22(21(15-18)25(7,8)9)27-16-17-10-12-19(26)13-11-17/h10-16H,1-9H3.
What are the key properties of (4-chlorophenyl)methylidene-(2,4,6-tritert-butylphenyl)phosphane?
(4-chlorophenyl)methylidene-(2,4,6-tritert-butylphenyl)phosphane has a molecular weight of 400.97 g/mol, XLogP of 7.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methylidene-(2,4,6-tritert-butylphenyl)phosphane is sourced from PubChem (CID 101336362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).