2,2,6,6-tetramethyl-1-[2,3,4,5-tetramethyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphinane

C34H53P — CID 87094998

IUPAC2,2,6,6-tetramethyl-1-[2,3,4,5-tetramethyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphinane
SMILESCc1c(C)c(C)c(P2C(C)(C)CCCC2(C)C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1C
InChIInChI=1S/C34H53P/c1-20(2)27-18-28(21(3)4)31(29(19-27)22(5)6)30-25(9)23(7)24(8)26(10)32(30)35-33(11,12)16-15-17-34(35,13)14/h18-22H,15-17H2,1-14H3
InChIKeyFMAKALPMQOMXNB-UHFFFAOYSA-N
MW492.77 g/mol
LogP10.81
Rot. Bonds5

About 2,2,6,6-tetramethyl-1-[2,3,4,5-tetramethyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphinane

2,2,6,6-tetramethyl-1-[2,3,4,5-tetramethyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphinane (PubChem CID 87094998) has the molecular formula C34H53P and a molecular weight of 492.77 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-[2,3,4,5-tetramethyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphinane.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-[2,3,4,5-tetramethyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphinane
PubChem CID87094998
Molecular FormulaC34H53P
Molecular Weight492.77 g/mol
Exact Mass492.39
IUPAC Name2,2,6,6-tetramethyl-1-[2,3,4,5-tetramethyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphinane
SMILESCc1c(C)c(C)c(P2C(C)(C)CCCC2(C)C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1C
InChIInChI=1S/C34H53P/c1-20(2)27-18-28(21(3)4)31(29(19-27)22(5)6)30-25(9)23(7)24(8)26(10)32(30)35-33(11,12)16-15-17-34(35,13)14/h18-22H,15-17H2,1-14H3
InChIKeyFMAKALPMQOMXNB-UHFFFAOYSA-N
XLogP10.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.77
LogP ≤ 510.81
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 2,2,6,6-tetramethyl-1-[2,3,4,5-tetramethyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphinane?
The IUPAC name of 2,2,6,6-tetramethyl-1-[2,3,4,5-tetramethyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphinane (CID 87094998) is 2,2,6,6-tetramethyl-1-[2,3,4,5-tetramethyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphinane.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-[2,3,4,5-tetramethyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphinane?
The canonical SMILES for 2,2,6,6-tetramethyl-1-[2,3,4,5-tetramethyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphinane is Cc1c(C)c(C)c(P2C(C)(C)CCCC2(C)C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1C.
What is the InChIKey of 2,2,6,6-tetramethyl-1-[2,3,4,5-tetramethyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphinane?
The InChIKey is FMAKALPMQOMXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H53P/c1-20(2)27-18-28(21(3)4)31(29(19-27)22(5)6)30-25(9)23(7)24(8)26(10)32(30)35-33(11,12)16-15-17-34(35,13)14/h18-22H,15-17H2,1-14H3.
What are the key properties of 2,2,6,6-tetramethyl-1-[2,3,4,5-tetramethyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphinane?
2,2,6,6-tetramethyl-1-[2,3,4,5-tetramethyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphinane has a molecular weight of 492.77 g/mol, XLogP of 10.81, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-[2,3,4,5-tetramethyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphinane is sourced from PubChem (CID 87094998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).