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

C22H28NP — CID 11175133

IUPACditert-butyl-(1-phenylindol-2-yl)phosphane
SMILESCC(C)(C)P(c1cc2ccccc2n1-c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28NP/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
InChIKeyHDZRDZCQFYUOHE-UHFFFAOYSA-N
MW337.45 g/mol
LogP6.33
Rot. Bonds2

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

ditert-butyl-(1-phenylindol-2-yl)phosphane (PubChem CID 11175133) has the molecular formula C22H28NP and a molecular weight of 337.45 g/mol. Its IUPAC name is ditert-butyl-(1-phenylindol-2-yl)phosphane.

Molecular Properties

Compound Nameditert-butyl-(1-phenylindol-2-yl)phosphane
PubChem CID11175133
Molecular FormulaC22H28NP
Molecular Weight337.45 g/mol
Exact Mass337.20
IUPAC Nameditert-butyl-(1-phenylindol-2-yl)phosphane
SMILESCC(C)(C)P(c1cc2ccccc2n1-c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28NP/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
InChIKeyHDZRDZCQFYUOHE-UHFFFAOYSA-N
XLogP6.33
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.45
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl-(1-phenylindol-2-yl)phosphane?
The IUPAC name of ditert-butyl-(1-phenylindol-2-yl)phosphane (CID 11175133) is ditert-butyl-(1-phenylindol-2-yl)phosphane.
What is the SMILES notation for ditert-butyl-(1-phenylindol-2-yl)phosphane?
The canonical SMILES for ditert-butyl-(1-phenylindol-2-yl)phosphane is CC(C)(C)P(c1cc2ccccc2n1-c1ccccc1)C(C)(C)C.
What is the InChIKey of ditert-butyl-(1-phenylindol-2-yl)phosphane?
The InChIKey is HDZRDZCQFYUOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28NP/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-phenylindol-2-yl)phosphane?
ditert-butyl-(1-phenylindol-2-yl)phosphane has a molecular weight of 337.45 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-(1-phenylindol-2-yl)phosphane is sourced from PubChem (CID 11175133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).