(2,5-dimethylpyrrol-1-yl)-diphenylphosphane

C18H18NP — CID 71387560

IUPAC(2,5-dimethylpyrrol-1-yl)-diphenylphosphane
SMILESCc1ccc(C)n1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18NP/c1-15-13-14-16(2)19(15)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14H,1-2H3
InChIKeyAACPGXCWOKCUFH-UHFFFAOYSA-N
MW279.32 g/mol
LogP4.00
Rot. Bonds3

About (2,5-dimethylpyrrol-1-yl)-diphenylphosphane

(2,5-dimethylpyrrol-1-yl)-diphenylphosphane (PubChem CID 71387560) has the molecular formula C18H18NP and a molecular weight of 279.32 g/mol. Its IUPAC name is (2,5-dimethylpyrrol-1-yl)-diphenylphosphane.

Molecular Properties

Compound Name(2,5-dimethylpyrrol-1-yl)-diphenylphosphane
PubChem CID71387560
Molecular FormulaC18H18NP
Molecular Weight279.32 g/mol
Exact Mass279.12
IUPAC Name(2,5-dimethylpyrrol-1-yl)-diphenylphosphane
SMILESCc1ccc(C)n1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18NP/c1-15-13-14-16(2)19(15)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14H,1-2H3
InChIKeyAACPGXCWOKCUFH-UHFFFAOYSA-N
XLogP4.00
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
ethane;triphenylphosphane
CID 90942156
triphenylphosphane
CID 139056248
(4-methylphenyl)-[4-[(4-methylphenyl)-phenylphosphanyl]phenyl]-phenylphosphane
CID 141372825
borane;methyl(diphenyl)phosphane
CID 13485169
methyl(diphenyl)phosphane;palladium(2+);dichloride
CID 175235701
cobalt;formaldehyde;triphenylphosphane
CID 173310038
phenyl-bis(trimethylsilyl)phosphane
CID 12518000
carbanide;gold(1+);methyl(diphenyl)phosphane
CID 87994939
[methyl(phenyl)phosphanyl]boranuide
CID 102383944
2,2-dimethylpropane;triphenylphosphane
CID 143924519
pentakis(palladium);hexadecakis(triphenylphosphane)
CID 173116735

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrrol-1-yl)-diphenylphosphane?
The IUPAC name of (2,5-dimethylpyrrol-1-yl)-diphenylphosphane (CID 71387560) is (2,5-dimethylpyrrol-1-yl)-diphenylphosphane.
What is the SMILES notation for (2,5-dimethylpyrrol-1-yl)-diphenylphosphane?
The canonical SMILES for (2,5-dimethylpyrrol-1-yl)-diphenylphosphane is Cc1ccc(C)n1P(c1ccccc1)c1ccccc1.
What is the InChIKey of (2,5-dimethylpyrrol-1-yl)-diphenylphosphane?
The InChIKey is AACPGXCWOKCUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18NP/c1-15-13-14-16(2)19(15)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14H,1-2H3.
What are the key properties of (2,5-dimethylpyrrol-1-yl)-diphenylphosphane?
(2,5-dimethylpyrrol-1-yl)-diphenylphosphane has a molecular weight of 279.32 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrrol-1-yl)-diphenylphosphane is sourced from PubChem (CID 71387560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).