(2,4,6-tritert-butylphenyl)-[4-(2,4,6-tritert-butylphenyl)phosphanylidenebutylidene]phosphane

C40H64P2 — CID 101184918

IUPAC(2,4,6-tritert-butylphenyl)-[4-(2,4,6-tritert-butylphenyl)phosphanylidenebutylidene]phosphane
SMILESCC(C)(C)c1cc(C(C)(C)C)c(/P=C/CC/C=P/c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C40H64P2/c1-35(2,3)27-23-29(37(7,8)9)33(30(24-27)38(10,11)12)41-21-19-20-22-42-34-31(39(13,14)15)25-28(36(4,5)6)26-32(34)40(16,17)18/h21-26H,19-20H2,1-18H3
InChIKeyNUPUWUOPELTAFB-UHFFFAOYSA-N
MW606.90 g/mol
LogP11.70
Rot. Bonds5

About (2,4,6-tritert-butylphenyl)-[4-(2,4,6-tritert-butylphenyl)phosphanylidenebutylidene]phosphane

(2,4,6-tritert-butylphenyl)-[4-(2,4,6-tritert-butylphenyl)phosphanylidenebutylidene]phosphane (PubChem CID 101184918) has the molecular formula C40H64P2 and a molecular weight of 606.90 g/mol. Its IUPAC name is (2,4,6-tritert-butylphenyl)-[4-(2,4,6-tritert-butylphenyl)phosphanylidenebutylidene]phosphane.

Molecular Properties

Compound Name(2,4,6-tritert-butylphenyl)-[4-(2,4,6-tritert-butylphenyl)phosphanylidenebutylidene]phosphane
PubChem CID101184918
Molecular FormulaC40H64P2
Molecular Weight606.90 g/mol
Exact Mass606.45
IUPAC Name(2,4,6-tritert-butylphenyl)-[4-(2,4,6-tritert-butylphenyl)phosphanylidenebutylidene]phosphane
SMILESCC(C)(C)c1cc(C(C)(C)C)c(/P=C/CC/C=P/c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C40H64P2/c1-35(2,3)27-23-29(37(7,8)9)33(30(24-27)38(10,11)12)41-21-19-20-22-42-34-31(39(13,14)15)25-28(36(4,5)6)26-32(34)40(16,17)18/h21-26H,19-20H2,1-18H3
InChIKeyNUPUWUOPELTAFB-UHFFFAOYSA-N
XLogP11.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.90
LogP ≤ 511.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bromomethylidene-(2,4,6-tritert-butylphenyl)phosphane
CID 11003156
(2,4,6-tritert-butylphenyl)-(trimethylsilylmethylidene)phosphane
CID 12776595
(2,4,6-tritert-butylphenyl)-[[4-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phenyl]methylidene]phosphane
CID 15803042
(4-chlorophenyl)methylidene-(2,4,6-tritert-butylphenyl)phosphane
CID 101336362
benzene;carbon monoxide;(2,4,6-tritert-butylphenyl)phosphanylideneosmium
CID 134984450
1,2,3,5-tetratert-butylbenzene
CID 18679123
phenyl-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane
CID 13086218
2,4,6-tritert-butyl-N-(2,4,6-tritert-butylphenyl)-N-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanylaniline
CID 134886122
[2,3-bis(4-methoxyphenyl)-4-(2,4,6-tritert-butylphenyl)phosphanylidenecyclobut-2-en-1-ylidene]-(2,4,6-tritert-butylphenyl)phosphane
CID 11389161
1-chloro-1-(2,4,6-tritert-butylphenyl)phosphanylidenebutan-2-one
CID 134920180
(2,7-ditert-butylfluoren-9-ylidene)-(2,4,6-tritert-butylphenyl)phosphane
CID 15821264
[(2S,3R)-2-tert-butyl-3-[(1S,2S)-2-tert-butyl-3,4-bis[(2,4,6-tritert-butylphenyl)phosphanylidene]cyclobutyl]-4-(2,4,6-tritert-butylphenyl)phosphanylidenecyclobutylidene]-(2,4,6-tritert-butylphenyl)phosphane
CID 100918214

Frequently Asked Questions

What is the IUPAC name of (2,4,6-tritert-butylphenyl)-[4-(2,4,6-tritert-butylphenyl)phosphanylidenebutylidene]phosphane?
The IUPAC name of (2,4,6-tritert-butylphenyl)-[4-(2,4,6-tritert-butylphenyl)phosphanylidenebutylidene]phosphane (CID 101184918) is (2,4,6-tritert-butylphenyl)-[4-(2,4,6-tritert-butylphenyl)phosphanylidenebutylidene]phosphane.
What is the SMILES notation for (2,4,6-tritert-butylphenyl)-[4-(2,4,6-tritert-butylphenyl)phosphanylidenebutylidene]phosphane?
The canonical SMILES for (2,4,6-tritert-butylphenyl)-[4-(2,4,6-tritert-butylphenyl)phosphanylidenebutylidene]phosphane is CC(C)(C)c1cc(C(C)(C)C)c(/P=C/CC/C=P/c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of (2,4,6-tritert-butylphenyl)-[4-(2,4,6-tritert-butylphenyl)phosphanylidenebutylidene]phosphane?
The InChIKey is NUPUWUOPELTAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H64P2/c1-35(2,3)27-23-29(37(7,8)9)33(30(24-27)38(10,11)12)41-21-19-20-22-42-34-31(39(13,14)15)25-28(36(4,5)6)26-32(34)40(16,17)18/h21-26H,19-20H2,1-18H3.
What are the key properties of (2,4,6-tritert-butylphenyl)-[4-(2,4,6-tritert-butylphenyl)phosphanylidenebutylidene]phosphane?
(2,4,6-tritert-butylphenyl)-[4-(2,4,6-tritert-butylphenyl)phosphanylidenebutylidene]phosphane has a molecular weight of 606.90 g/mol, XLogP of 11.70, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-tritert-butylphenyl)-[4-(2,4,6-tritert-butylphenyl)phosphanylidenebutylidene]phosphane is sourced from PubChem (CID 101184918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).