(4-tert-butyl-2-methylphenoxy)-[4-[4-[(4-tert-butyl-2-methylphenoxy)-(2,4-dimethylphenoxy)phosphanyl]phenyl]phenyl]-(2,4-dimethylphenoxy)phosphane

C50H56O4P2 — CID 122596264

IUPAC(4-tert-butyl-2-methylphenoxy)-[4-[4-[(4-tert-butyl-2-methylphenoxy)-(2,4-dimethylphenoxy)phosphanyl]phenyl]phenyl]-(2,4-dimethylphenoxy)phosphane
SMILESCc1ccc(OP(Oc2ccc(C(C)(C)C)cc2C)c2ccc(-c3ccc(P(Oc4ccc(C)cc4C)Oc4ccc(C(C)(C)C)cc4C)cc3)cc2)c(C)c1
InChIInChI=1S/C50H56O4P2/c1-33-13-25-45(35(3)29-33)51-55(53-47-27-19-41(31-37(47)5)49(7,8)9)43-21-15-39(16-22-43)40-17-23-44(24-18-40)56(52-46-26-14-34(2)30-36(46)4)54-48-28-20-42(32-38(48)6)50(10,11)12/h13-32H,1-12H3
InChIKeyNPEIFCZNLBAETI-UHFFFAOYSA-N
MW782.94 g/mol
LogP13.99
Rot. Bonds11

About (4-tert-butyl-2-methylphenoxy)-[4-[4-[(4-tert-butyl-2-methylphenoxy)-(2,4-dimethylphenoxy)phosphanyl]phenyl]phenyl]-(2,4-dimethylphenoxy)phosphane

(4-tert-butyl-2-methylphenoxy)-[4-[4-[(4-tert-butyl-2-methylphenoxy)-(2,4-dimethylphenoxy)phosphanyl]phenyl]phenyl]-(2,4-dimethylphenoxy)phosphane (PubChem CID 122596264) has the molecular formula C50H56O4P2 and a molecular weight of 782.94 g/mol. Its IUPAC name is (4-tert-butyl-2-methylphenoxy)-[4-[4-[(4-tert-butyl-2-methylphenoxy)-(2,4-dimethylphenoxy)phosphanyl]phenyl]phenyl]-(2,4-dimethylphenoxy)phosphane.

Molecular Properties

Compound Name(4-tert-butyl-2-methylphenoxy)-[4-[4-[(4-tert-butyl-2-methylphenoxy)-(2,4-dimethylphenoxy)phosphanyl]phenyl]phenyl]-(2,4-dimethylphenoxy)phosphane
PubChem CID122596264
Molecular FormulaC50H56O4P2
Molecular Weight782.94 g/mol
Exact Mass782.37
IUPAC Name(4-tert-butyl-2-methylphenoxy)-[4-[4-[(4-tert-butyl-2-methylphenoxy)-(2,4-dimethylphenoxy)phosphanyl]phenyl]phenyl]-(2,4-dimethylphenoxy)phosphane
SMILESCc1ccc(OP(Oc2ccc(C(C)(C)C)cc2C)c2ccc(-c3ccc(P(Oc4ccc(C)cc4C)Oc4ccc(C(C)(C)C)cc4C)cc3)cc2)c(C)c1
InChIInChI=1S/C50H56O4P2/c1-33-13-25-45(35(3)29-33)51-55(53-47-27-19-41(31-37(47)5)49(7,8)9)43-21-15-39(16-22-43)40-17-23-44(24-18-40)56(52-46-26-14-34(2)30-36(46)4)54-48-28-20-42(32-38(48)6)50(10,11)12/h13-32H,1-12H3
InChIKeyNPEIFCZNLBAETI-UHFFFAOYSA-N
XLogP13.99
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.94
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-tert-butyl-2-methylphenoxy)-[4-[4-[(4-tert-butyl-2-methylphenoxy)-(2,4-dimethylphenoxy)phosphanyl]phenyl]phenyl]-(2,4-dimethylphenoxy)phosphane with MolForge

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Launch Full Analysis

Related Compounds

[4-[4-bis(5-tert-butyl-2,3-dimethylphenoxy)phosphanylphenyl]phenyl]-bis(5-tert-butyl-2,3-dimethylphenoxy)phosphane
CID 141246742
[4-[4-[bis(2,4-ditert-butylphenoxy)phosphanylmethyl]phenyl]phenyl]-bis(2,4-ditert-butylphenoxy)phosphane
CID 134339602
bis(2,4-ditert-butyl-5-methylphenoxy)-methylphosphane;(2,4-ditert-butyl-5-methylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane
CID 91487722
bis(2,4-dimethylphenoxy)-(2,4-dimethylphenyl)phosphane
CID 23352982
(2-tert-butyl-4-ethylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane
CID 134479186
[3-[4-bis(2,4-ditert-butyl-5-methylphenoxy)phosphanylphenyl]phenyl]-bis(2,4-ditert-butyl-5-methylphenoxy)phosphane
CID 141255569
[4-[4-bis(2,4-ditert-butylphenoxy)phosphanylphenyl]phenyl]-(4,6-ditert-butyl-3-methylcyclohexa-1,5-dien-1-yl)oxy-(2,4-ditert-butylphenoxy)phosphane
CID 143570123
bis(2-tert-butylphenoxy)-(4-tert-butylphenyl)phosphane
CID 54542176
[2-(4-tert-butyl-2-methylphenoxy)-4-methylphenyl]methanamine
CID 63456905
bis(2,4-ditert-butylphenoxy)-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phosphane
CID 167052856
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(2,4-dimethylphenoxy)acetohydrazide
CID 4922319
1-tert-butyl-4-methylbenzene
CID 163486601

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-2-methylphenoxy)-[4-[4-[(4-tert-butyl-2-methylphenoxy)-(2,4-dimethylphenoxy)phosphanyl]phenyl]phenyl]-(2,4-dimethylphenoxy)phosphane?
The IUPAC name of (4-tert-butyl-2-methylphenoxy)-[4-[4-[(4-tert-butyl-2-methylphenoxy)-(2,4-dimethylphenoxy)phosphanyl]phenyl]phenyl]-(2,4-dimethylphenoxy)phosphane (CID 122596264) is (4-tert-butyl-2-methylphenoxy)-[4-[4-[(4-tert-butyl-2-methylphenoxy)-(2,4-dimethylphenoxy)phosphanyl]phenyl]phenyl]-(2,4-dimethylphenoxy)phosphane.
What is the SMILES notation for (4-tert-butyl-2-methylphenoxy)-[4-[4-[(4-tert-butyl-2-methylphenoxy)-(2,4-dimethylphenoxy)phosphanyl]phenyl]phenyl]-(2,4-dimethylphenoxy)phosphane?
The canonical SMILES for (4-tert-butyl-2-methylphenoxy)-[4-[4-[(4-tert-butyl-2-methylphenoxy)-(2,4-dimethylphenoxy)phosphanyl]phenyl]phenyl]-(2,4-dimethylphenoxy)phosphane is Cc1ccc(OP(Oc2ccc(C(C)(C)C)cc2C)c2ccc(-c3ccc(P(Oc4ccc(C)cc4C)Oc4ccc(C(C)(C)C)cc4C)cc3)cc2)c(C)c1.
What is the InChIKey of (4-tert-butyl-2-methylphenoxy)-[4-[4-[(4-tert-butyl-2-methylphenoxy)-(2,4-dimethylphenoxy)phosphanyl]phenyl]phenyl]-(2,4-dimethylphenoxy)phosphane?
The InChIKey is NPEIFCZNLBAETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H56O4P2/c1-33-13-25-45(35(3)29-33)51-55(53-47-27-19-41(31-37(47)5)49(7,8)9)43-21-15-39(16-22-43)40-17-23-44(24-18-40)56(52-46-26-14-34(2)30-36(46)4)54-48-28-20-42(32-38(48)6)50(10,11)12/h13-32H,1-12H3.
What are the key properties of (4-tert-butyl-2-methylphenoxy)-[4-[4-[(4-tert-butyl-2-methylphenoxy)-(2,4-dimethylphenoxy)phosphanyl]phenyl]phenyl]-(2,4-dimethylphenoxy)phosphane?
(4-tert-butyl-2-methylphenoxy)-[4-[4-[(4-tert-butyl-2-methylphenoxy)-(2,4-dimethylphenoxy)phosphanyl]phenyl]phenyl]-(2,4-dimethylphenoxy)phosphane has a molecular weight of 782.94 g/mol, XLogP of 13.99, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-2-methylphenoxy)-[4-[4-[(4-tert-butyl-2-methylphenoxy)-(2,4-dimethylphenoxy)phosphanyl]phenyl]phenyl]-(2,4-dimethylphenoxy)phosphane is sourced from PubChem (CID 122596264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).