(2,4,6-tritert-butylphenyl)-[1-(2,4,6-tritert-butylphenyl)phosphanylethylidene]phosphane

C38H62P2 — CID 16689735

IUPAC(2,4,6-tritert-butylphenyl)-[1-(2,4,6-tritert-butylphenyl)phosphanylethylidene]phosphane
SMILESC/C(=P\c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C)Pc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C38H62P2/c1-24(39-31-27(35(8,9)10)20-25(33(2,3)4)21-28(31)36(11,12)13)40-32-29(37(14,15)16)22-26(34(5,6)7)23-30(32)38(17,18)19/h20-23,39H,1-19H3
InChIKeyJFPHATKWZPGULN-UHFFFAOYSA-N
MW580.86 g/mol
LogP11.20
Rot. Bonds3

About (2,4,6-tritert-butylphenyl)-[1-(2,4,6-tritert-butylphenyl)phosphanylethylidene]phosphane

(2,4,6-tritert-butylphenyl)-[1-(2,4,6-tritert-butylphenyl)phosphanylethylidene]phosphane (PubChem CID 16689735) has the molecular formula C38H62P2 and a molecular weight of 580.86 g/mol. Its IUPAC name is (2,4,6-tritert-butylphenyl)-[1-(2,4,6-tritert-butylphenyl)phosphanylethylidene]phosphane.

Molecular Properties

Compound Name(2,4,6-tritert-butylphenyl)-[1-(2,4,6-tritert-butylphenyl)phosphanylethylidene]phosphane
PubChem CID16689735
Molecular FormulaC38H62P2
Molecular Weight580.86 g/mol
Exact Mass580.43
IUPAC Name(2,4,6-tritert-butylphenyl)-[1-(2,4,6-tritert-butylphenyl)phosphanylethylidene]phosphane
SMILESC/C(=P\c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C)Pc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C38H62P2/c1-24(39-31-27(35(8,9)10)20-25(33(2,3)4)21-28(31)36(11,12)13)40-32-29(37(14,15)16)22-26(34(5,6)7)23-30(32)38(17,18)19/h20-23,39H,1-19H3
InChIKeyJFPHATKWZPGULN-UHFFFAOYSA-N
XLogP11.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.86
LogP ≤ 511.20
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)phosphinite
CID 101376141
1-chloro-1-(2,4,6-tritert-butylphenyl)phosphanylidenebutan-2-one
CID 134920180
(1-bromo-2-phenylethylidene)-(2,4,6-tritert-butylphenyl)phosphane
CID 11431063
[bromo-(4-methylphenyl)sulfanylmethylidene]-(2,4,6-tritert-butylphenyl)phosphane
CID 134871332
N-[[chloro-(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]-[di(propan-2-yl)amino]phosphoryl]-N-propan-2-ylpropan-2-amine
CID 101267339
bromomethylidene-(2,4,6-tritert-butylphenyl)phosphane
CID 11003156
(2,4,6-tritert-butylphenyl)-[4-(2,4,6-tritert-butylphenyl)phosphanylidenebutylidene]phosphane
CID 101184918
propyl-(2,4,6-tritert-butylphenyl)phosphane
CID 16697508
(2,4,6-tritert-butylphenyl)-(trimethylsilylmethylidene)phosphane
CID 12776595
1,5-bis(trimethylsilyl)penta-2,4-diynylidene-(2,4,6-tritert-butylphenyl)phosphane
CID 102522485
[1-phenyl-5-[4-[5-phenyl-5-(2,4,6-tritert-butylphenyl)phosphanylidenepenta-1,3-diynyl]phenyl]penta-2,4-diynylidene]-(2,4,6-tritert-butylphenyl)phosphane
CID 102172132
(2,4,6-tritert-butylphenyl)-[[4-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phenyl]methylidene]phosphane
CID 15803042

Frequently Asked Questions

What is the IUPAC name of (2,4,6-tritert-butylphenyl)-[1-(2,4,6-tritert-butylphenyl)phosphanylethylidene]phosphane?
The IUPAC name of (2,4,6-tritert-butylphenyl)-[1-(2,4,6-tritert-butylphenyl)phosphanylethylidene]phosphane (CID 16689735) is (2,4,6-tritert-butylphenyl)-[1-(2,4,6-tritert-butylphenyl)phosphanylethylidene]phosphane.
What is the SMILES notation for (2,4,6-tritert-butylphenyl)-[1-(2,4,6-tritert-butylphenyl)phosphanylethylidene]phosphane?
The canonical SMILES for (2,4,6-tritert-butylphenyl)-[1-(2,4,6-tritert-butylphenyl)phosphanylethylidene]phosphane is C/C(=P\c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C)Pc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of (2,4,6-tritert-butylphenyl)-[1-(2,4,6-tritert-butylphenyl)phosphanylethylidene]phosphane?
The InChIKey is JFPHATKWZPGULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H62P2/c1-24(39-31-27(35(8,9)10)20-25(33(2,3)4)21-28(31)36(11,12)13)40-32-29(37(14,15)16)22-26(34(5,6)7)23-30(32)38(17,18)19/h20-23,39H,1-19H3.
What are the key properties of (2,4,6-tritert-butylphenyl)-[1-(2,4,6-tritert-butylphenyl)phosphanylethylidene]phosphane?
(2,4,6-tritert-butylphenyl)-[1-(2,4,6-tritert-butylphenyl)phosphanylethylidene]phosphane has a molecular weight of 580.86 g/mol, XLogP of 11.20, 3 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)-[1-(2,4,6-tritert-butylphenyl)phosphanylethylidene]phosphane is sourced from PubChem (CID 16689735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).