[(1R,2R)-2-[bis(3,4,5-trimethylphenyl)phosphanylmethyl]cyclobutyl]methyl-bis(3,4,5-trimethylphenyl)phosphane

C42H54P2 — CID 155202363

IUPAC[(1R,2R)-2-[bis(3,4,5-trimethylphenyl)phosphanylmethyl]cyclobutyl]methyl-bis(3,4,5-trimethylphenyl)phosphane
SMILESCc1cc(P(C[C@@H]2CC[C@H]2CP(c2cc(C)c(C)c(C)c2)c2cc(C)c(C)c(C)c2)c2cc(C)c(C)c(C)c2)cc(C)c1C
InChIInChI=1S/C42H54P2/c1-25-15-39(16-26(2)33(25)9)43(40-17-27(3)34(10)28(4)18-40)23-37-13-14-38(37)24-44(41-19-29(5)35(11)30(6)20-41)42-21-31(7)36(12)32(8)22-42/h15-22,37-38H,13-14,23-24H2,1-12H3/t37-,38-/m0/s1
InChIKeyHFNPPWPLMUQKKH-UWXQCODUSA-N
MW620.84 g/mol
LogP9.98
Rot. Bonds8

About [(1R,2R)-2-[bis(3,4,5-trimethylphenyl)phosphanylmethyl]cyclobutyl]methyl-bis(3,4,5-trimethylphenyl)phosphane

[(1R,2R)-2-[bis(3,4,5-trimethylphenyl)phosphanylmethyl]cyclobutyl]methyl-bis(3,4,5-trimethylphenyl)phosphane (PubChem CID 155202363) has the molecular formula C42H54P2 and a molecular weight of 620.84 g/mol. Its IUPAC name is [(1R,2R)-2-[bis(3,4,5-trimethylphenyl)phosphanylmethyl]cyclobutyl]methyl-bis(3,4,5-trimethylphenyl)phosphane.

Molecular Properties

Compound Name[(1R,2R)-2-[bis(3,4,5-trimethylphenyl)phosphanylmethyl]cyclobutyl]methyl-bis(3,4,5-trimethylphenyl)phosphane
PubChem CID155202363
Molecular FormulaC42H54P2
Molecular Weight620.84 g/mol
Exact Mass620.37
IUPAC Name[(1R,2R)-2-[bis(3,4,5-trimethylphenyl)phosphanylmethyl]cyclobutyl]methyl-bis(3,4,5-trimethylphenyl)phosphane
SMILESCc1cc(P(C[C@@H]2CC[C@H]2CP(c2cc(C)c(C)c(C)c2)c2cc(C)c(C)c(C)c2)c2cc(C)c(C)c(C)c2)cc(C)c1C
InChIInChI=1S/C42H54P2/c1-25-15-39(16-26(2)33(25)9)43(40-17-27(3)34(10)28(4)18-40)23-37-13-14-38(37)24-44(41-19-29(5)35(11)30(6)20-41)42-21-31(7)36(12)32(8)22-42/h15-22,37-38H,13-14,23-24H2,1-12H3/t37-,38-/m0/s1
InChIKeyHFNPPWPLMUQKKH-UWXQCODUSA-N
XLogP9.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.84
LogP ≤ 59.98
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 [(1R,2R)-2-[bis(3,4,5-trimethylphenyl)phosphanylmethyl]cyclobutyl]methyl-bis(3,4,5-trimethylphenyl)phosphane?
The IUPAC name of [(1R,2R)-2-[bis(3,4,5-trimethylphenyl)phosphanylmethyl]cyclobutyl]methyl-bis(3,4,5-trimethylphenyl)phosphane (CID 155202363) is [(1R,2R)-2-[bis(3,4,5-trimethylphenyl)phosphanylmethyl]cyclobutyl]methyl-bis(3,4,5-trimethylphenyl)phosphane.
What is the SMILES notation for [(1R,2R)-2-[bis(3,4,5-trimethylphenyl)phosphanylmethyl]cyclobutyl]methyl-bis(3,4,5-trimethylphenyl)phosphane?
The canonical SMILES for [(1R,2R)-2-[bis(3,4,5-trimethylphenyl)phosphanylmethyl]cyclobutyl]methyl-bis(3,4,5-trimethylphenyl)phosphane is Cc1cc(P(C[C@@H]2CC[C@H]2CP(c2cc(C)c(C)c(C)c2)c2cc(C)c(C)c(C)c2)c2cc(C)c(C)c(C)c2)cc(C)c1C.
What is the InChIKey of [(1R,2R)-2-[bis(3,4,5-trimethylphenyl)phosphanylmethyl]cyclobutyl]methyl-bis(3,4,5-trimethylphenyl)phosphane?
The InChIKey is HFNPPWPLMUQKKH-UWXQCODUSA-N. The full InChI is InChI=1S/C42H54P2/c1-25-15-39(16-26(2)33(25)9)43(40-17-27(3)34(10)28(4)18-40)23-37-13-14-38(37)24-44(41-19-29(5)35(11)30(6)20-41)42-21-31(7)36(12)32(8)22-42/h15-22,37-38H,13-14,23-24H2,1-12H3/t37-,38-/m0/s1.
What are the key properties of [(1R,2R)-2-[bis(3,4,5-trimethylphenyl)phosphanylmethyl]cyclobutyl]methyl-bis(3,4,5-trimethylphenyl)phosphane?
[(1R,2R)-2-[bis(3,4,5-trimethylphenyl)phosphanylmethyl]cyclobutyl]methyl-bis(3,4,5-trimethylphenyl)phosphane has a molecular weight of 620.84 g/mol, XLogP of 9.98, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[bis(3,4,5-trimethylphenyl)phosphanylmethyl]cyclobutyl]methyl-bis(3,4,5-trimethylphenyl)phosphane is sourced from PubChem (CID 155202363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).