ditert-butyl-(1-phenylphosphindol-2-yl)phosphane

C22H28P2 — CID 129088726

IUPACditert-butyl-(1-phenylphosphindol-2-yl)phosphane
SMILESCC(C)(C)P(c1cc2ccccc2p1-c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28P2/c1-21(2,3)24(22(4,5)6)20-16-17-12-10-11-15-19(17)23(20)18-13-8-7-9-14-18/h7-16H,1-6H3
InChIKeyFZLAHQZKLXLEEG-UHFFFAOYSA-N
MW354.41 g/mol
LogP7.52
Rot. Bonds2

About ditert-butyl-(1-phenylphosphindol-2-yl)phosphane

ditert-butyl-(1-phenylphosphindol-2-yl)phosphane (PubChem CID 129088726) has the molecular formula C22H28P2 and a molecular weight of 354.41 g/mol. Its IUPAC name is ditert-butyl-(1-phenylphosphindol-2-yl)phosphane.

Molecular Properties

Compound Nameditert-butyl-(1-phenylphosphindol-2-yl)phosphane
PubChem CID129088726
Molecular FormulaC22H28P2
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Nameditert-butyl-(1-phenylphosphindol-2-yl)phosphane
SMILESCC(C)(C)P(c1cc2ccccc2p1-c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28P2/c1-21(2,3)24(22(4,5)6)20-16-17-12-10-11-15-19(17)23(20)18-13-8-7-9-14-18/h7-16H,1-6H3
InChIKeyFZLAHQZKLXLEEG-UHFFFAOYSA-N
XLogP7.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 57.52
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

trimethyl-(1-phenylphosphindol-2-yl)silane
CID 10062323
ditert-butyl(phenyl)phosphane;dichloropalladium
CID 87286096
ditert-butyl-(1-phenylindol-2-yl)phosphane
CID 11175133
benzene;tetrakis(2,2-dimethylpropane);ethane;naphthalene
CID 163997399
benzene;hexakis(2,2-dimethylpropane);ethane;naphthalene
CID 159135234
ditert-butyl-(2,4-diphenylphenyl)phosphane
CID 174868751
2,2-dimethylpropane;naphthalene
CID 91188461
2,7,12,17,22-pentakis-phenyl-2,7,12,17,22-pentaphosphahexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentadecaene
CID 132559225
bis(ditert-butyl(1H-inden-1-id-2-yl)phosphane);zirconium(4+);difluoride
CID 87829516
bis(ditert-butyl(1H-inden-1-id-2-yl)phosphane);titanium(4+);difluoride
CID 87829057
anthracene;benzene;tetrakis(2,2-dimethylpropane);ethane;naphthalene;propane
CID 161162660
ditert-butyl-(4-methyl-2,6-diphenylphenyl)phosphane
CID 139468098

Frequently Asked Questions

What is the IUPAC name of ditert-butyl-(1-phenylphosphindol-2-yl)phosphane?
The IUPAC name of ditert-butyl-(1-phenylphosphindol-2-yl)phosphane (CID 129088726) is ditert-butyl-(1-phenylphosphindol-2-yl)phosphane.
What is the SMILES notation for ditert-butyl-(1-phenylphosphindol-2-yl)phosphane?
The canonical SMILES for ditert-butyl-(1-phenylphosphindol-2-yl)phosphane is CC(C)(C)P(c1cc2ccccc2p1-c1ccccc1)C(C)(C)C.
What is the InChIKey of ditert-butyl-(1-phenylphosphindol-2-yl)phosphane?
The InChIKey is FZLAHQZKLXLEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28P2/c1-21(2,3)24(22(4,5)6)20-16-17-12-10-11-15-19(17)23(20)18-13-8-7-9-14-18/h7-16H,1-6H3.
What are the key properties of ditert-butyl-(1-phenylphosphindol-2-yl)phosphane?
ditert-butyl-(1-phenylphosphindol-2-yl)phosphane has a molecular weight of 354.41 g/mol, XLogP of 7.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-(1-phenylphosphindol-2-yl)phosphane is sourced from PubChem (CID 129088726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).