[3-bis(3,5-dimethylphenyl)phosphanyl-2,2-dimethyl-1,3-diphenylpropyl]-bis(3,5-dimethylphenyl)phosphane

C49H54P2 — CID 22672771

IUPAC[3-bis(3,5-dimethylphenyl)phosphanyl-2,2-dimethyl-1,3-diphenylpropyl]-bis(3,5-dimethylphenyl)phosphane
SMILESCc1cc(C)cc(P(c2cc(C)cc(C)c2)C(c2ccccc2)C(C)(C)C(c2ccccc2)P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C49H54P2/c1-33-21-34(2)26-43(25-33)50(44-27-35(3)22-36(4)28-44)47(41-17-13-11-14-18-41)49(9,10)48(42-19-15-12-16-20-42)51(45-29-37(5)23-38(6)30-45)46-31-39(7)24-40(8)32-46/h11-32,47-48H,1-10H3
InChIKeyVUDYQMOGQRVZHP-UHFFFAOYSA-N
MW704.92 g/mol
LogP12.23
Rot. Bonds10

About [3-bis(3,5-dimethylphenyl)phosphanyl-2,2-dimethyl-1,3-diphenylpropyl]-bis(3,5-dimethylphenyl)phosphane

[3-bis(3,5-dimethylphenyl)phosphanyl-2,2-dimethyl-1,3-diphenylpropyl]-bis(3,5-dimethylphenyl)phosphane (PubChem CID 22672771) has the molecular formula C49H54P2 and a molecular weight of 704.92 g/mol. Its IUPAC name is [3-bis(3,5-dimethylphenyl)phosphanyl-2,2-dimethyl-1,3-diphenylpropyl]-bis(3,5-dimethylphenyl)phosphane.

Molecular Properties

Compound Name[3-bis(3,5-dimethylphenyl)phosphanyl-2,2-dimethyl-1,3-diphenylpropyl]-bis(3,5-dimethylphenyl)phosphane
PubChem CID22672771
Molecular FormulaC49H54P2
Molecular Weight704.92 g/mol
Exact Mass704.37
IUPAC Name[3-bis(3,5-dimethylphenyl)phosphanyl-2,2-dimethyl-1,3-diphenylpropyl]-bis(3,5-dimethylphenyl)phosphane
SMILESCc1cc(C)cc(P(c2cc(C)cc(C)c2)C(c2ccccc2)C(C)(C)C(c2ccccc2)P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C49H54P2/c1-33-21-34(2)26-43(25-33)50(44-27-35(3)22-36(4)28-44)47(41-17-13-11-14-18-41)49(9,10)48(42-19-15-12-16-20-42)51(45-29-37(5)23-38(6)30-45)46-31-39(7)24-40(8)32-46/h11-32,47-48H,1-10H3
InChIKeyVUDYQMOGQRVZHP-UHFFFAOYSA-N
XLogP12.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.92
LogP ≤ 512.23
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-[bis(3,5-dimethylphenyl)phosphanyl-phenylmethyl]-1-phenyl-2-propylpentyl]-bis(3,5-dimethylphenyl)phosphane
CID 22672814
tert-butylbenzene;1,3,5-trimethylbenzene
CID 173429948
1-[(3,5-dimethylphenyl)-phenylmethyl]-3,5-dimethylbenzene;ethane
CID 145412167
[2-[bis(4-tert-butylphenyl)phosphanyl-phenylmethyl]-2-methyl-1-phenylbutyl]-bis(4-tert-butylphenyl)phosphane
CID 87659208
tert-butylbenzene;1-tert-butyl-3,5-dimethylbenzene
CID 165052129
(1R)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-1,4-dien-1-yl]-N,N-dimethyl-1-phenylmethanamine
CID 89306191
bis(2,4,6-trimethylphenyl)phosphanyl-phenylmethanol
CID 132512078
(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol
CID 100943216
[(1R,3R)-3-bis(4-methylphenyl)phosphanyl-1,3-diphenylpropyl]-bis(4-methylphenyl)phosphane
CID 101382224
1-(3,5-dimethylphenyl)-2-phenylethanamine
CID 60917697
naphthalene;bis(1,3,5-trimethylbenzene)
CID 158615214
N-[(R)-(3,5-dimethylphenyl)-(2-diphenylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide
CID 162393839

Frequently Asked Questions

What is the IUPAC name of [3-bis(3,5-dimethylphenyl)phosphanyl-2,2-dimethyl-1,3-diphenylpropyl]-bis(3,5-dimethylphenyl)phosphane?
The IUPAC name of [3-bis(3,5-dimethylphenyl)phosphanyl-2,2-dimethyl-1,3-diphenylpropyl]-bis(3,5-dimethylphenyl)phosphane (CID 22672771) is [3-bis(3,5-dimethylphenyl)phosphanyl-2,2-dimethyl-1,3-diphenylpropyl]-bis(3,5-dimethylphenyl)phosphane.
What is the SMILES notation for [3-bis(3,5-dimethylphenyl)phosphanyl-2,2-dimethyl-1,3-diphenylpropyl]-bis(3,5-dimethylphenyl)phosphane?
The canonical SMILES for [3-bis(3,5-dimethylphenyl)phosphanyl-2,2-dimethyl-1,3-diphenylpropyl]-bis(3,5-dimethylphenyl)phosphane is Cc1cc(C)cc(P(c2cc(C)cc(C)c2)C(c2ccccc2)C(C)(C)C(c2ccccc2)P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1.
What is the InChIKey of [3-bis(3,5-dimethylphenyl)phosphanyl-2,2-dimethyl-1,3-diphenylpropyl]-bis(3,5-dimethylphenyl)phosphane?
The InChIKey is VUDYQMOGQRVZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H54P2/c1-33-21-34(2)26-43(25-33)50(44-27-35(3)22-36(4)28-44)47(41-17-13-11-14-18-41)49(9,10)48(42-19-15-12-16-20-42)51(45-29-37(5)23-38(6)30-45)46-31-39(7)24-40(8)32-46/h11-32,47-48H,1-10H3.
What are the key properties of [3-bis(3,5-dimethylphenyl)phosphanyl-2,2-dimethyl-1,3-diphenylpropyl]-bis(3,5-dimethylphenyl)phosphane?
[3-bis(3,5-dimethylphenyl)phosphanyl-2,2-dimethyl-1,3-diphenylpropyl]-bis(3,5-dimethylphenyl)phosphane has a molecular weight of 704.92 g/mol, XLogP of 12.23, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bis(3,5-dimethylphenyl)phosphanyl-2,2-dimethyl-1,3-diphenylpropyl]-bis(3,5-dimethylphenyl)phosphane is sourced from PubChem (CID 22672771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).