4-bis[3,5-di(propan-2-yl)phenyl]phosphanylbutyl-bis[3,5-di(propan-2-yl)phenyl]phosphane

C52H76P2 — CID 153322567

IUPAC4-bis[3,5-di(propan-2-yl)phenyl]phosphanylbutyl-bis[3,5-di(propan-2-yl)phenyl]phosphane
SMILESCC(C)c1cc(C(C)C)cc(P(CCCCP(c2cc(C(C)C)cc(C(C)C)c2)c2cc(C(C)C)cc(C(C)C)c2)c2cc(C(C)C)cc(C(C)C)c2)c1
InChIInChI=1S/C52H76P2/c1-33(2)41-21-42(34(3)4)26-49(25-41)53(50-27-43(35(5)6)22-44(28-50)36(7)8)19-17-18-20-54(51-29-45(37(9)10)23-46(30-51)38(11)12)52-31-47(39(13)14)24-48(32-52)40(15)16/h21-40H,17-20H2,1-16H3
InChIKeySCVIXTOSQLCJFL-UHFFFAOYSA-N
MW763.13 g/mol
LogP15.02
Rot. Bonds17

About 4-bis[3,5-di(propan-2-yl)phenyl]phosphanylbutyl-bis[3,5-di(propan-2-yl)phenyl]phosphane

4-bis[3,5-di(propan-2-yl)phenyl]phosphanylbutyl-bis[3,5-di(propan-2-yl)phenyl]phosphane (PubChem CID 153322567) has the molecular formula C52H76P2 and a molecular weight of 763.13 g/mol. Its IUPAC name is 4-bis[3,5-di(propan-2-yl)phenyl]phosphanylbutyl-bis[3,5-di(propan-2-yl)phenyl]phosphane.

Molecular Properties

Compound Name4-bis[3,5-di(propan-2-yl)phenyl]phosphanylbutyl-bis[3,5-di(propan-2-yl)phenyl]phosphane
PubChem CID153322567
Molecular FormulaC52H76P2
Molecular Weight763.13 g/mol
Exact Mass762.54
IUPAC Name4-bis[3,5-di(propan-2-yl)phenyl]phosphanylbutyl-bis[3,5-di(propan-2-yl)phenyl]phosphane
SMILESCC(C)c1cc(C(C)C)cc(P(CCCCP(c2cc(C(C)C)cc(C(C)C)c2)c2cc(C(C)C)cc(C(C)C)c2)c2cc(C(C)C)cc(C(C)C)c2)c1
InChIInChI=1S/C52H76P2/c1-33(2)41-21-42(34(3)4)26-49(25-41)53(50-27-43(35(5)6)22-44(28-50)36(7)8)19-17-18-20-54(51-29-45(37(9)10)23-46(30-51)38(11)12)52-31-47(39(13)14)24-48(32-52)40(15)16/h21-40H,17-20H2,1-16H3
InChIKeySCVIXTOSQLCJFL-UHFFFAOYSA-N
XLogP15.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.13
LogP ≤ 515.02
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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Frequently Asked Questions

What is the IUPAC name of 4-bis[3,5-di(propan-2-yl)phenyl]phosphanylbutyl-bis[3,5-di(propan-2-yl)phenyl]phosphane?
The IUPAC name of 4-bis[3,5-di(propan-2-yl)phenyl]phosphanylbutyl-bis[3,5-di(propan-2-yl)phenyl]phosphane (CID 153322567) is 4-bis[3,5-di(propan-2-yl)phenyl]phosphanylbutyl-bis[3,5-di(propan-2-yl)phenyl]phosphane.
What is the SMILES notation for 4-bis[3,5-di(propan-2-yl)phenyl]phosphanylbutyl-bis[3,5-di(propan-2-yl)phenyl]phosphane?
The canonical SMILES for 4-bis[3,5-di(propan-2-yl)phenyl]phosphanylbutyl-bis[3,5-di(propan-2-yl)phenyl]phosphane is CC(C)c1cc(C(C)C)cc(P(CCCCP(c2cc(C(C)C)cc(C(C)C)c2)c2cc(C(C)C)cc(C(C)C)c2)c2cc(C(C)C)cc(C(C)C)c2)c1.
What is the InChIKey of 4-bis[3,5-di(propan-2-yl)phenyl]phosphanylbutyl-bis[3,5-di(propan-2-yl)phenyl]phosphane?
The InChIKey is SCVIXTOSQLCJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H76P2/c1-33(2)41-21-42(34(3)4)26-49(25-41)53(50-27-43(35(5)6)22-44(28-50)36(7)8)19-17-18-20-54(51-29-45(37(9)10)23-46(30-51)38(11)12)52-31-47(39(13)14)24-48(32-52)40(15)16/h21-40H,17-20H2,1-16H3.
What are the key properties of 4-bis[3,5-di(propan-2-yl)phenyl]phosphanylbutyl-bis[3,5-di(propan-2-yl)phenyl]phosphane?
4-bis[3,5-di(propan-2-yl)phenyl]phosphanylbutyl-bis[3,5-di(propan-2-yl)phenyl]phosphane has a molecular weight of 763.13 g/mol, XLogP of 15.02, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bis[3,5-di(propan-2-yl)phenyl]phosphanylbutyl-bis[3,5-di(propan-2-yl)phenyl]phosphane is sourced from PubChem (CID 153322567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).