[4-[4-bis(2,4-ditert-butylphenyl)phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenyl)phosphane

C68H92P2 — CID 150490134

IUPAC[4-[4-bis(2,4-ditert-butylphenyl)phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenyl)phosphane
SMILESCC(C)(C)c1ccc(P(c2ccc(-c3ccc(P(c4ccc(C(C)(C)C)cc4C(C)(C)C)c4ccc(C(C)(C)C)cc4C(C)(C)C)cc3)cc2)c2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C68H92P2/c1-61(2,3)47-29-37-57(53(41-47)65(13,14)15)69(58-38-30-48(62(4,5)6)42-54(58)66(16,17)18)51-33-25-45(26-34-51)46-27-35-52(36-28-46)70(59-39-31-49(63(7,8)9)43-55(59)67(19,20)21)60-40-32-50(64(10,11)12)44-56(60)68(22,23)24/h25-44H,1-24H3
InChIKeyHVPWXYYHNKRBOJ-UHFFFAOYSA-N
MW971.43 g/mol
LogP17.25
Rot. Bonds7

About [4-[4-bis(2,4-ditert-butylphenyl)phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenyl)phosphane

[4-[4-bis(2,4-ditert-butylphenyl)phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenyl)phosphane (PubChem CID 150490134) has the molecular formula C68H92P2 and a molecular weight of 971.43 g/mol. Its IUPAC name is [4-[4-bis(2,4-ditert-butylphenyl)phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenyl)phosphane.

Molecular Properties

Compound Name[4-[4-bis(2,4-ditert-butylphenyl)phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenyl)phosphane
PubChem CID150490134
Molecular FormulaC68H92P2
Molecular Weight971.43 g/mol
Exact Mass970.67
IUPAC Name[4-[4-bis(2,4-ditert-butylphenyl)phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenyl)phosphane
SMILESCC(C)(C)c1ccc(P(c2ccc(-c3ccc(P(c4ccc(C(C)(C)C)cc4C(C)(C)C)c4ccc(C(C)(C)C)cc4C(C)(C)C)cc3)cc2)c2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C68H92P2/c1-61(2,3)47-29-37-57(53(41-47)65(13,14)15)69(58-38-30-48(62(4,5)6)42-54(58)66(16,17)18)51-33-25-45(26-34-51)46-27-35-52(36-28-46)70(59-39-31-49(63(7,8)9)43-55(59)67(19,20)21)60-40-32-50(64(10,11)12)44-56(60)68(22,23)24/h25-44H,1-24H3
InChIKeyHVPWXYYHNKRBOJ-UHFFFAOYSA-N
XLogP17.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500971.43
LogP ≤ 517.25
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

[4-[4-bis(2,4-ditert-butylphenyl)phosphanyloxyphenyl]phenoxy]-bis(2,4-ditert-butylphenyl)phosphane
CID 126483253
sodium 2,4-ditert-butylphenolate
CID 23662446
[4-[4-[bis(2,4-ditert-butylphenoxy)phosphanylmethyl]phenyl]phenyl]-bis(2,4-ditert-butylphenoxy)phosphane
CID 134339602
1,2-bis(2,4-ditert-butylphenyl)-4-phenylbenzene
CID 141103881
1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]-2-methylbenzene
CID 165165056
(2-tert-butyl-4-ethylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane
CID 134479186
dibismuth;tris((2,4-ditert-butylphenyl) phosphite)
CID 159144248
(4-tert-butylphenyl)-dioxidophosphane
CID 19091532
(2,4-ditert-butylphenoxy)-dimethylphosphane
CID 19091733
1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene
CID 58671884
tris[4-(2-methylbutan-2-yl)phenyl]phosphane
CID 12900990
1-tert-butyl-3-(4-tert-butylphenyl)benzene
CID 12682933

Frequently Asked Questions

What is the IUPAC name of [4-[4-bis(2,4-ditert-butylphenyl)phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenyl)phosphane?
The IUPAC name of [4-[4-bis(2,4-ditert-butylphenyl)phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenyl)phosphane (CID 150490134) is [4-[4-bis(2,4-ditert-butylphenyl)phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenyl)phosphane.
What is the SMILES notation for [4-[4-bis(2,4-ditert-butylphenyl)phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenyl)phosphane?
The canonical SMILES for [4-[4-bis(2,4-ditert-butylphenyl)phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenyl)phosphane is CC(C)(C)c1ccc(P(c2ccc(-c3ccc(P(c4ccc(C(C)(C)C)cc4C(C)(C)C)c4ccc(C(C)(C)C)cc4C(C)(C)C)cc3)cc2)c2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of [4-[4-bis(2,4-ditert-butylphenyl)phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenyl)phosphane?
The InChIKey is HVPWXYYHNKRBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H92P2/c1-61(2,3)47-29-37-57(53(41-47)65(13,14)15)69(58-38-30-48(62(4,5)6)42-54(58)66(16,17)18)51-33-25-45(26-34-51)46-27-35-52(36-28-46)70(59-39-31-49(63(7,8)9)43-55(59)67(19,20)21)60-40-32-50(64(10,11)12)44-56(60)68(22,23)24/h25-44H,1-24H3.
What are the key properties of [4-[4-bis(2,4-ditert-butylphenyl)phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenyl)phosphane?
[4-[4-bis(2,4-ditert-butylphenyl)phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenyl)phosphane has a molecular weight of 971.43 g/mol, XLogP of 17.25, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-bis(2,4-ditert-butylphenyl)phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenyl)phosphane is sourced from PubChem (CID 150490134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).