ditert-butyl-(2,4-diphenylphenyl)phosphane

C26H31P — CID 174868751

IUPACditert-butyl-(2,4-diphenylphenyl)phosphane
SMILESCC(C)(C)P(c1ccc(-c2ccccc2)cc1-c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H31P/c1-25(2,3)27(26(4,5)6)24-18-17-22(20-13-9-7-10-14-20)19-23(24)21-15-11-8-12-16-21/h7-19H,1-6H3
InChIKeyZVOAHPKMXIBWLS-UHFFFAOYSA-N
MW374.51 g/mol
LogP7.72
Rot. Bonds3

About ditert-butyl-(2,4-diphenylphenyl)phosphane

ditert-butyl-(2,4-diphenylphenyl)phosphane (PubChem CID 174868751) has the molecular formula C26H31P and a molecular weight of 374.51 g/mol. Its IUPAC name is ditert-butyl-(2,4-diphenylphenyl)phosphane.

Molecular Properties

Compound Nameditert-butyl-(2,4-diphenylphenyl)phosphane
PubChem CID174868751
Molecular FormulaC26H31P
Molecular Weight374.51 g/mol
Exact Mass374.22
IUPAC Nameditert-butyl-(2,4-diphenylphenyl)phosphane
SMILESCC(C)(C)P(c1ccc(-c2ccccc2)cc1-c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H31P/c1-25(2,3)27(26(4,5)6)24-18-17-22(20-13-9-7-10-14-20)19-23(24)21-15-11-8-12-16-21/h7-19H,1-6H3
InChIKeyZVOAHPKMXIBWLS-UHFFFAOYSA-N
XLogP7.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.51
LogP ≤ 57.72
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

1-tert-butyl-2,4-diphenylbenzene;methane
CID 142588815
11-phenylnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),6(46),7,9(45),10,12,14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,43-tetracosaene
CID 135036112
1,2,4-triphenylbenzene
CID 518325
ditert-butyl-(4-methyl-2,6-diphenylphenyl)phosphane
CID 139468098
4-phenyl-2-(4-phenylphenyl)aniline
CID 153492708
2-[4-amino-3-[4-amino-3-[4-amino-3-[4-amino-3-(4-amino-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylaniline
CID 100933717
1,2,4-triphenylbenzene;1,3,5-triphenylbenzene
CID 162004033
2-[3-(3-tert-butylphenyl)phenyl]-1,3,5-triphenylbenzene
CID 140865935
(2,4-diphenylphenyl)-trimethylgermane
CID 171435989
1-methyl-4-(4-methylphenyl)-2-phenylbenzene
CID 18683184
4-(6,9-diphenylcarbazol-3-yl)-2-phenylaniline
CID 90069493
2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene
CID 174878589

Frequently Asked Questions

What is the IUPAC name of ditert-butyl-(2,4-diphenylphenyl)phosphane?
The IUPAC name of ditert-butyl-(2,4-diphenylphenyl)phosphane (CID 174868751) is ditert-butyl-(2,4-diphenylphenyl)phosphane.
What is the SMILES notation for ditert-butyl-(2,4-diphenylphenyl)phosphane?
The canonical SMILES for ditert-butyl-(2,4-diphenylphenyl)phosphane is CC(C)(C)P(c1ccc(-c2ccccc2)cc1-c1ccccc1)C(C)(C)C.
What is the InChIKey of ditert-butyl-(2,4-diphenylphenyl)phosphane?
The InChIKey is ZVOAHPKMXIBWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31P/c1-25(2,3)27(26(4,5)6)24-18-17-22(20-13-9-7-10-14-20)19-23(24)21-15-11-8-12-16-21/h7-19H,1-6H3.
What are the key properties of ditert-butyl-(2,4-diphenylphenyl)phosphane?
ditert-butyl-(2,4-diphenylphenyl)phosphane has a molecular weight of 374.51 g/mol, XLogP of 7.72, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-(2,4-diphenylphenyl)phosphane is sourced from PubChem (CID 174868751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).