[2,2-bis(diphenylphosphanylmethyl)-3,3-dimethylbutyl]-diphenylphosphane

C44H45P3 — CID 59318614

IUPAC[2,2-bis(diphenylphosphanylmethyl)-3,3-dimethylbutyl]-diphenylphosphane
SMILESCC(C)(C)C(CP(c1ccccc1)c1ccccc1)(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H45P3/c1-43(2,3)44(34-45(37-22-10-4-11-23-37)38-24-12-5-13-25-38,35-46(39-26-14-6-15-27-39)40-28-16-7-17-29-40)36-47(41-30-18-8-19-31-41)42-32-20-9-21-33-42/h4-33H,34-36H2,1-3H3
InChIKeyPKYMPJPNBFJTMR-UHFFFAOYSA-N
MW666.77 g/mol
LogP9.42
Rot. Bonds12

About [2,2-bis(diphenylphosphanylmethyl)-3,3-dimethylbutyl]-diphenylphosphane

[2,2-bis(diphenylphosphanylmethyl)-3,3-dimethylbutyl]-diphenylphosphane (PubChem CID 59318614) has the molecular formula C44H45P3 and a molecular weight of 666.77 g/mol. Its IUPAC name is [2,2-bis(diphenylphosphanylmethyl)-3,3-dimethylbutyl]-diphenylphosphane.

Molecular Properties

Compound Name[2,2-bis(diphenylphosphanylmethyl)-3,3-dimethylbutyl]-diphenylphosphane
PubChem CID59318614
Molecular FormulaC44H45P3
Molecular Weight666.77 g/mol
Exact Mass666.27
IUPAC Name[2,2-bis(diphenylphosphanylmethyl)-3,3-dimethylbutyl]-diphenylphosphane
SMILESCC(C)(C)C(CP(c1ccccc1)c1ccccc1)(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H45P3/c1-43(2,3)44(34-45(37-22-10-4-11-23-37)38-24-12-5-13-25-38,35-46(39-26-14-6-15-27-39)40-28-16-7-17-29-40)36-47(41-30-18-8-19-31-41)42-32-20-9-21-33-42/h4-33H,34-36H2,1-3H3
InChIKeyPKYMPJPNBFJTMR-UHFFFAOYSA-N
XLogP9.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.77
LogP ≤ 59.42
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

(3-diphenylphosphanyl-2,2-dimethylpropyl)-diphenylphosphane;methane
CID 159058846
2,2-dimethylhexyl(diphenyl)phosphane
CID 143507399
[2-(diphenylphosphanylmethyl)-2-ethylbutyl]-diphenylphosphane
CID 22052782
2,2-dimethylpropyl(diphenyl)phosphane;formaldehyde;rhodium
CID 88689211
carbon monoxide;chromium;[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane
CID 134898996
(2,2-dichloro-3-diphenylphosphanylpropyl)-diphenylphosphane;palladium
CID 175711479
(2,2-dichloro-3-diphenylphosphanylpropyl)-diphenylphosphane;nickel(2+)
CID 131716311
2,2-dimethylhexyl(diphenyl)phosphane;pentyl(diphenyl)phosphane
CID 143507398
[2-methyl-3-phenylsulfanyl-2-(phenylsulfanylmethyl)propyl]-diphenylphosphane
CID 139171150
(1,1-dibromo-2-diphenylphosphanylethyl)-diphenylphosphane
CID 21297174
1,2-bis(diphenylphosphanyl)ethane-1,1-dithiol
CID 88810681
(1Z,5Z)-cycloocta-1,5-diene;[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane;rhodium;tetraphenylboranuide
CID 11983039

Frequently Asked Questions

What is the IUPAC name of [2,2-bis(diphenylphosphanylmethyl)-3,3-dimethylbutyl]-diphenylphosphane?
The IUPAC name of [2,2-bis(diphenylphosphanylmethyl)-3,3-dimethylbutyl]-diphenylphosphane (CID 59318614) is [2,2-bis(diphenylphosphanylmethyl)-3,3-dimethylbutyl]-diphenylphosphane.
What is the SMILES notation for [2,2-bis(diphenylphosphanylmethyl)-3,3-dimethylbutyl]-diphenylphosphane?
The canonical SMILES for [2,2-bis(diphenylphosphanylmethyl)-3,3-dimethylbutyl]-diphenylphosphane is CC(C)(C)C(CP(c1ccccc1)c1ccccc1)(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1.
What is the InChIKey of [2,2-bis(diphenylphosphanylmethyl)-3,3-dimethylbutyl]-diphenylphosphane?
The InChIKey is PKYMPJPNBFJTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H45P3/c1-43(2,3)44(34-45(37-22-10-4-11-23-37)38-24-12-5-13-25-38,35-46(39-26-14-6-15-27-39)40-28-16-7-17-29-40)36-47(41-30-18-8-19-31-41)42-32-20-9-21-33-42/h4-33H,34-36H2,1-3H3.
What are the key properties of [2,2-bis(diphenylphosphanylmethyl)-3,3-dimethylbutyl]-diphenylphosphane?
[2,2-bis(diphenylphosphanylmethyl)-3,3-dimethylbutyl]-diphenylphosphane has a molecular weight of 666.77 g/mol, XLogP of 9.42, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-bis(diphenylphosphanylmethyl)-3,3-dimethylbutyl]-diphenylphosphane is sourced from PubChem (CID 59318614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).