(2,5-ditert-butyl-1H-pyrrol-3-yl)-di(propan-2-yl)phosphane

C18H34NP — CID 102114276

IUPAC(2,5-ditert-butyl-1H-pyrrol-3-yl)-di(propan-2-yl)phosphane
SMILESCC(C)P(c1cc(C(C)(C)C)[nH]c1C(C)(C)C)C(C)C
InChIInChI=1S/C18H34NP/c1-12(2)20(13(3)4)14-11-15(17(5,6)7)19-16(14)18(8,9)10/h11-13,19H,1-10H3
InChIKeyXZLJTLQQUOPBKN-UHFFFAOYSA-N
MW295.45 g/mol
LogP5.53
Rot. Bonds3

About (2,5-ditert-butyl-1H-pyrrol-3-yl)-di(propan-2-yl)phosphane

(2,5-ditert-butyl-1H-pyrrol-3-yl)-di(propan-2-yl)phosphane (PubChem CID 102114276) has the molecular formula C18H34NP and a molecular weight of 295.45 g/mol. Its IUPAC name is (2,5-ditert-butyl-1H-pyrrol-3-yl)-di(propan-2-yl)phosphane.

Molecular Properties

Compound Name(2,5-ditert-butyl-1H-pyrrol-3-yl)-di(propan-2-yl)phosphane
PubChem CID102114276
Molecular FormulaC18H34NP
Molecular Weight295.45 g/mol
Exact Mass295.24
IUPAC Name(2,5-ditert-butyl-1H-pyrrol-3-yl)-di(propan-2-yl)phosphane
SMILESCC(C)P(c1cc(C(C)(C)C)[nH]c1C(C)(C)C)C(C)C
InChIInChI=1S/C18H34NP/c1-12(2)20(13(3)4)14-11-15(17(5,6)7)19-16(14)18(8,9)10/h11-13,19H,1-10H3
InChIKeyXZLJTLQQUOPBKN-UHFFFAOYSA-N
XLogP5.53
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.45
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

barium(2+);hydride;bis(2,3,5-tritert-butyl-1H-pyrrole)
CID 173050342
6-tert-butyl-4-(3-methylbutan-2-yl)-1H-pyridin-2-one
CID 134561004
2-tert-butyl-3,5-dimethyl-1H-pyrrole
CID 130016450
5-tert-butyl-2,3-dimethylidene-1H-pyrrole
CID 139474096
3,5-ditert-butyl-2-methyl-1H-pyrrole
CID 163737684
5-tert-butyl-2-propan-2-yl-1H-pyrrole-3-carboxylic acid
CID 165441475
5-bromo-2-tert-butyl-1H-indole
CID 65337909
6-tert-butyl-3-methyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 23171277
8-bromo-2-tert-butyl-6-methyl-1H-quinolin-4-one
CID 43668152
2-ethyl-5-methyl-3-propan-2-yl-1H-pyrrole
CID 171107349
2-tert-butyl-5-methyl-1H-pyrrole-3-carbonitrile
CID 53254564
(5-tert-butyl-3-methyl-1H-pyrrol-2-yl)-methoxymethanol
CID 91206485

Frequently Asked Questions

What is the IUPAC name of (2,5-ditert-butyl-1H-pyrrol-3-yl)-di(propan-2-yl)phosphane?
The IUPAC name of (2,5-ditert-butyl-1H-pyrrol-3-yl)-di(propan-2-yl)phosphane (CID 102114276) is (2,5-ditert-butyl-1H-pyrrol-3-yl)-di(propan-2-yl)phosphane.
What is the SMILES notation for (2,5-ditert-butyl-1H-pyrrol-3-yl)-di(propan-2-yl)phosphane?
The canonical SMILES for (2,5-ditert-butyl-1H-pyrrol-3-yl)-di(propan-2-yl)phosphane is CC(C)P(c1cc(C(C)(C)C)[nH]c1C(C)(C)C)C(C)C.
What is the InChIKey of (2,5-ditert-butyl-1H-pyrrol-3-yl)-di(propan-2-yl)phosphane?
The InChIKey is XZLJTLQQUOPBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34NP/c1-12(2)20(13(3)4)14-11-15(17(5,6)7)19-16(14)18(8,9)10/h11-13,19H,1-10H3.
What are the key properties of (2,5-ditert-butyl-1H-pyrrol-3-yl)-di(propan-2-yl)phosphane?
(2,5-ditert-butyl-1H-pyrrol-3-yl)-di(propan-2-yl)phosphane has a molecular weight of 295.45 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-ditert-butyl-1H-pyrrol-3-yl)-di(propan-2-yl)phosphane is sourced from PubChem (CID 102114276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).