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

C29H45P — CID 11618717

IUPACditert-butyl-[2-[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
InChIInChI=1S/C29H45P/c1-19(2)22-17-24(20(3)4)27(25(18-22)21(5)6)23-15-13-14-16-26(23)30(28(7,8)9)29(10,11)12/h13-21H,1-12H3
InChIKeySACNIGZYDTUHKB-UHFFFAOYSA-N
MW424.65 g/mol
LogP9.43
Rot. Bonds5

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

ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane (PubChem CID 11618717) has the molecular formula C29H45P and a molecular weight of 424.65 g/mol. Its IUPAC name is ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane.

Molecular Properties

Compound Nameditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
PubChem CID11618717
Molecular FormulaC29H45P
Molecular Weight424.65 g/mol
Exact Mass424.33
IUPAC Nameditert-butyl-[2-[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
InChIInChI=1S/C29H45P/c1-19(2)22-17-24(20(3)4)27(25(18-22)21(5)6)23-15-13-14-16-26(23)30(28(7,8)9)29(10,11)12/h13-21H,1-12H3
InChIKeySACNIGZYDTUHKB-UHFFFAOYSA-N
XLogP9.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.65
LogP ≤ 59.43
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-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
The IUPAC name of ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane (CID 11618717) is ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane.
What is the SMILES notation for ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
The canonical SMILES for ditert-butyl-[2-[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.
What is the InChIKey of ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
The InChIKey is SACNIGZYDTUHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H45P/c1-19(2)22-17-24(20(3)4)27(25(18-22)21(5)6)23-15-13-14-16-26(23)30(28(7,8)9)29(10,11)12/h13-21H,1-12H3.
What are the key properties of ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane has a molecular weight of 424.65 g/mol, XLogP of 9.43, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane is sourced from PubChem (CID 11618717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).