ditert-butyl-[2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane

C35H49P — CID 122414025

IUPACditert-butyl-[2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
SMILESCC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1-c1ccccc1
InChIInChI=1S/C35H49P/c1-23(2)28-22-29(24(3)4)33(31(25(5)6)32(28)26-18-14-13-15-19-26)27-20-16-17-21-30(27)36(34(7,8)9)35(10,11)12/h13-25H,1-12H3
InChIKeyFAWQGDSKHFEBLK-UHFFFAOYSA-N
MW500.75 g/mol
LogP11.10
Rot. Bonds6

About ditert-butyl-[2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane

ditert-butyl-[2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane (PubChem CID 122414025) has the molecular formula C35H49P and a molecular weight of 500.75 g/mol. Its IUPAC name is ditert-butyl-[2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane.

Molecular Properties

Compound Nameditert-butyl-[2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
PubChem CID122414025
Molecular FormulaC35H49P
Molecular Weight500.75 g/mol
Exact Mass500.36
IUPAC Nameditert-butyl-[2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
SMILESCC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1-c1ccccc1
InChIInChI=1S/C35H49P/c1-23(2)28-22-29(24(3)4)33(31(25(5)6)32(28)26-18-14-13-15-19-26)27-20-16-17-21-30(27)36(34(7,8)9)35(10,11)12/h13-25H,1-12H3
InChIKeyFAWQGDSKHFEBLK-UHFFFAOYSA-N
XLogP11.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.75
LogP ≤ 511.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
The IUPAC name of ditert-butyl-[2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane (CID 122414025) is ditert-butyl-[2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane.
What is the SMILES notation for ditert-butyl-[2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
The canonical SMILES for ditert-butyl-[2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane is CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1-c1ccccc1.
What is the InChIKey of ditert-butyl-[2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
The InChIKey is FAWQGDSKHFEBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H49P/c1-23(2)28-22-29(24(3)4)33(31(25(5)6)32(28)26-18-14-13-15-19-26)27-20-16-17-21-30(27)36(34(7,8)9)35(10,11)12/h13-25H,1-12H3.
What are the key properties of ditert-butyl-[2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
ditert-butyl-[2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane has a molecular weight of 500.75 g/mol, XLogP of 11.10, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane is sourced from PubChem (CID 122414025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).