benzyl-[3-[benzyl-[2,4,6-tri(propan-2-yl)phenyl]phosphanyl]propyl]-[2,4,6-tri(propan-2-yl)phenyl]phosphane

C47H66P2 — CID 102041236

IUPACbenzyl-[3-[benzyl-[2,4,6-tri(propan-2-yl)phenyl]phosphanyl]propyl]-[2,4,6-tri(propan-2-yl)phenyl]phosphane
SMILESCC(C)c1cc(C(C)C)c(P(CCCP(Cc2ccccc2)c2c(C(C)C)cc(C(C)C)cc2C(C)C)Cc2ccccc2)c(C(C)C)c1
InChIInChI=1S/C47H66P2/c1-32(2)40-26-42(34(5)6)46(43(27-40)35(7)8)48(30-38-20-15-13-16-21-38)24-19-25-49(31-39-22-17-14-18-23-39)47-44(36(9)10)28-41(33(3)4)29-45(47)37(11)12/h13-18,20-23,26-29,32-37H,19,24-25,30-31H2,1-12H3
InChIKeyNIAQUEYSDVLVSZ-UHFFFAOYSA-N
MW692.99 g/mol
LogP14.13
Rot. Bonds16

About benzyl-[3-[benzyl-[2,4,6-tri(propan-2-yl)phenyl]phosphanyl]propyl]-[2,4,6-tri(propan-2-yl)phenyl]phosphane

benzyl-[3-[benzyl-[2,4,6-tri(propan-2-yl)phenyl]phosphanyl]propyl]-[2,4,6-tri(propan-2-yl)phenyl]phosphane (PubChem CID 102041236) has the molecular formula C47H66P2 and a molecular weight of 692.99 g/mol. Its IUPAC name is benzyl-[3-[benzyl-[2,4,6-tri(propan-2-yl)phenyl]phosphanyl]propyl]-[2,4,6-tri(propan-2-yl)phenyl]phosphane.

Molecular Properties

Compound Namebenzyl-[3-[benzyl-[2,4,6-tri(propan-2-yl)phenyl]phosphanyl]propyl]-[2,4,6-tri(propan-2-yl)phenyl]phosphane
PubChem CID102041236
Molecular FormulaC47H66P2
Molecular Weight692.99 g/mol
Exact Mass692.46
IUPAC Namebenzyl-[3-[benzyl-[2,4,6-tri(propan-2-yl)phenyl]phosphanyl]propyl]-[2,4,6-tri(propan-2-yl)phenyl]phosphane
SMILESCC(C)c1cc(C(C)C)c(P(CCCP(Cc2ccccc2)c2c(C(C)C)cc(C(C)C)cc2C(C)C)Cc2ccccc2)c(C(C)C)c1
InChIInChI=1S/C47H66P2/c1-32(2)40-26-42(34(5)6)46(43(27-40)35(7)8)48(30-38-20-15-13-16-21-38)24-19-25-49(31-39-22-17-14-18-23-39)47-44(36(9)10)28-41(33(3)4)29-45(47)37(11)12/h13-18,20-23,26-29,32-37H,19,24-25,30-31H2,1-12H3
InChIKeyNIAQUEYSDVLVSZ-UHFFFAOYSA-N
XLogP14.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.99
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl-[4-[benzyl-[2,4,6-tri(propan-2-yl)phenyl]phosphoryl]butyl]phosphoryl]-1,3,5-tri(propan-2-yl)benzene
CID 102041247
triphenyl-[[2,4,6-tri(propan-2-yl)phenyl]methyl]phosphanium
CID 86735896
2-[1-[(Z)-3-phenylprop-1-enoxy]ethyl]-1,3,5-tri(propan-2-yl)benzene
CID 135061019
2-[1-(3-phenylprop-1-ynoxy)ethyl]-1,3,5-tri(propan-2-yl)benzene
CID 85161066
[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenyl-propan-2-ylphosphane
CID 139466257
2-(4-benzhydrylphenyl)-1,3,5-tri(propan-2-yl)benzene
CID 173006325
2-(4-phenylphenyl)-1,3,5-tri(propan-2-yl)benzene
CID 151062491
1-benzylsulfanyl-2-propan-2-ylbenzene
CID 54415712
dibenzyl(1-dibenzylphosphanylethyl)phosphane
CID 21296881
[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(propan-2-yl)phosphane
CID 127262770
[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphane
CID 102481833
[(1S)-1-deuterio-2-phenylethyl] 2,4,6-tri(propan-2-yl)benzoate
CID 25266136

Frequently Asked Questions

What is the IUPAC name of benzyl-[3-[benzyl-[2,4,6-tri(propan-2-yl)phenyl]phosphanyl]propyl]-[2,4,6-tri(propan-2-yl)phenyl]phosphane?
The IUPAC name of benzyl-[3-[benzyl-[2,4,6-tri(propan-2-yl)phenyl]phosphanyl]propyl]-[2,4,6-tri(propan-2-yl)phenyl]phosphane (CID 102041236) is benzyl-[3-[benzyl-[2,4,6-tri(propan-2-yl)phenyl]phosphanyl]propyl]-[2,4,6-tri(propan-2-yl)phenyl]phosphane.
What is the SMILES notation for benzyl-[3-[benzyl-[2,4,6-tri(propan-2-yl)phenyl]phosphanyl]propyl]-[2,4,6-tri(propan-2-yl)phenyl]phosphane?
The canonical SMILES for benzyl-[3-[benzyl-[2,4,6-tri(propan-2-yl)phenyl]phosphanyl]propyl]-[2,4,6-tri(propan-2-yl)phenyl]phosphane is CC(C)c1cc(C(C)C)c(P(CCCP(Cc2ccccc2)c2c(C(C)C)cc(C(C)C)cc2C(C)C)Cc2ccccc2)c(C(C)C)c1.
What is the InChIKey of benzyl-[3-[benzyl-[2,4,6-tri(propan-2-yl)phenyl]phosphanyl]propyl]-[2,4,6-tri(propan-2-yl)phenyl]phosphane?
The InChIKey is NIAQUEYSDVLVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H66P2/c1-32(2)40-26-42(34(5)6)46(43(27-40)35(7)8)48(30-38-20-15-13-16-21-38)24-19-25-49(31-39-22-17-14-18-23-39)47-44(36(9)10)28-41(33(3)4)29-45(47)37(11)12/h13-18,20-23,26-29,32-37H,19,24-25,30-31H2,1-12H3.
What are the key properties of benzyl-[3-[benzyl-[2,4,6-tri(propan-2-yl)phenyl]phosphanyl]propyl]-[2,4,6-tri(propan-2-yl)phenyl]phosphane?
benzyl-[3-[benzyl-[2,4,6-tri(propan-2-yl)phenyl]phosphanyl]propyl]-[2,4,6-tri(propan-2-yl)phenyl]phosphane has a molecular weight of 692.99 g/mol, XLogP of 14.13, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[3-[benzyl-[2,4,6-tri(propan-2-yl)phenyl]phosphanyl]propyl]-[2,4,6-tri(propan-2-yl)phenyl]phosphane is sourced from PubChem (CID 102041236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).