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

C37H53O2P — CID 121483098

IUPACditert-butyl-[3,6-dimethoxy-2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
SMILESCOc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)c(-c2ccccc2)c1C(C)C
InChIInChI=1S/C37H53O2P/c1-23(2)27-22-28(24(3)4)33(31(25(5)6)32(27)26-18-16-15-17-19-26)34-29(38-13)20-21-30(39-14)35(34)40(36(7,8)9)37(10,11)12/h15-25H,1-14H3
InChIKeyILEADOISRJXMHM-UHFFFAOYSA-N
MW560.80 g/mol
LogP11.11
Rot. Bonds8

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

ditert-butyl-[3,6-dimethoxy-2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane (PubChem CID 121483098) has the molecular formula C37H53O2P and a molecular weight of 560.80 g/mol. Its IUPAC name is ditert-butyl-[3,6-dimethoxy-2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane.

Molecular Properties

Compound Nameditert-butyl-[3,6-dimethoxy-2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
PubChem CID121483098
Molecular FormulaC37H53O2P
Molecular Weight560.80 g/mol
Exact Mass560.38
IUPAC Nameditert-butyl-[3,6-dimethoxy-2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
SMILESCOc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)c(-c2ccccc2)c1C(C)C
InChIInChI=1S/C37H53O2P/c1-23(2)27-22-28(24(3)4)33(31(25(5)6)32(27)26-18-16-15-17-19-26)34-29(38-13)20-21-30(39-14)35(34)40(36(7,8)9)37(10,11)12/h15-25H,1-14H3
InChIKeyILEADOISRJXMHM-UHFFFAOYSA-N
XLogP11.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.80
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ditert-butyl-[2-methoxy-6-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;2-(2-iodo-3-methoxyphenyl)-4-phenyl-1,3,5-tri(propan-2-yl)benzene
CID 159939308
ditert-butyl-[6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)-3-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phosphane;ethane;2-(2-iodo-3-methoxy-6-methylphenyl)-1,3,5-tri(propan-2-yl)-4-[4-(trifluoromethyl)phenyl]benzene
CID 161002318
2,4-diphenyl-1,3,5-tri(propan-2-yl)benzene
CID 158905708
ditert-butyl-[2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
CID 122414025
2-(2-iodo-3-methoxyphenyl)-4-phenyl-1,3,5-tri(propan-2-yl)benzene
CID 121483081
[3-ditert-butylphosphanyl-4-methoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]methanol
CID 135193691
[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphane
CID 102481833
CID 176507743
CID 176507743
[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dimethylphosphane
CID 127262764
1,3,5-triphenyl-2,4,6-tri(propan-2-yl)benzene
CID 175984465
[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(propan-2-yl)phosphane
CID 127262770
diphenyl-[2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
CID 122414026

Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[3,6-dimethoxy-2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
The IUPAC name of ditert-butyl-[3,6-dimethoxy-2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane (CID 121483098) is ditert-butyl-[3,6-dimethoxy-2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane.
What is the SMILES notation for ditert-butyl-[3,6-dimethoxy-2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
The canonical SMILES for ditert-butyl-[3,6-dimethoxy-2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane is COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)c(-c2ccccc2)c1C(C)C.
What is the InChIKey of ditert-butyl-[3,6-dimethoxy-2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
The InChIKey is ILEADOISRJXMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H53O2P/c1-23(2)27-22-28(24(3)4)33(31(25(5)6)32(27)26-18-16-15-17-19-26)34-29(38-13)20-21-30(39-14)35(34)40(36(7,8)9)37(10,11)12/h15-25H,1-14H3.
What are the key properties of ditert-butyl-[3,6-dimethoxy-2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
ditert-butyl-[3,6-dimethoxy-2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane has a molecular weight of 560.80 g/mol, XLogP of 11.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[3,6-dimethoxy-2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane is sourced from PubChem (CID 121483098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).