(5-ethyl-1H-indol-2-yl)-methyl-triphenyl-λ5-phosphane

C29H28NP — CID 173310644

IUPAC(5-ethyl-1H-indol-2-yl)-methyl-triphenyl-λ5-phosphane
SMILESCCc1ccc2[nH]c(P(C)(c3ccccc3)(c3ccccc3)c3ccccc3)cc2c1
InChIInChI=1S/C29H28NP/c1-3-23-19-20-28-24(21-23)22-29(30-28)31(2,25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-22,30H,3H2,1-2H3
InChIKeyLJVQVXPBSYJKSV-UHFFFAOYSA-N
MW421.52 g/mol
LogP5.52
Rot. Bonds5

About (5-ethyl-1H-indol-2-yl)-methyl-triphenyl-λ5-phosphane

(5-ethyl-1H-indol-2-yl)-methyl-triphenyl-λ5-phosphane (PubChem CID 173310644) has the molecular formula C29H28NP and a molecular weight of 421.52 g/mol. Its IUPAC name is (5-ethyl-1H-indol-2-yl)-methyl-triphenyl-λ5-phosphane.

Molecular Properties

Compound Name(5-ethyl-1H-indol-2-yl)-methyl-triphenyl-λ5-phosphane
PubChem CID173310644
Molecular FormulaC29H28NP
Molecular Weight421.52 g/mol
Exact Mass421.20
IUPAC Name(5-ethyl-1H-indol-2-yl)-methyl-triphenyl-λ5-phosphane
SMILESCCc1ccc2[nH]c(P(C)(c3ccccc3)(c3ccccc3)c3ccccc3)cc2c1
InChIInChI=1S/C29H28NP/c1-3-23-19-20-28-24(21-23)22-29(30-28)31(2,25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-22,30H,3H2,1-2H3
InChIKeyLJVQVXPBSYJKSV-UHFFFAOYSA-N
XLogP5.52
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.52
LogP ≤ 55.52
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

(5-ethyl-1H-indol-2-yl)methanol
CID 21405642
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2-(5-ethyl-1H-indol-2-yl)propanoic acid
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CID 90684887
2-amino-2-(5-ethyl-1H-indol-2-yl)ethanol
CID 83859615
2-ethyl-5-propyl-1H-indole
CID 86257176
3-ethyl-5H-naphtho[2,3-c]carbazole
CID 90260150
6-ethyl-3-[(4-phenylmethoxyanilino)methyl]-1H-quinolin-2-one
CID 46950045
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ethylbenzene;molybdenum
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6-ethyl-4-phenyl-1H-quinazoline-2-thione
CID 134914811

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1H-indol-2-yl)-methyl-triphenyl-λ5-phosphane?
The IUPAC name of (5-ethyl-1H-indol-2-yl)-methyl-triphenyl-λ5-phosphane (CID 173310644) is (5-ethyl-1H-indol-2-yl)-methyl-triphenyl-λ5-phosphane.
What is the SMILES notation for (5-ethyl-1H-indol-2-yl)-methyl-triphenyl-λ5-phosphane?
The canonical SMILES for (5-ethyl-1H-indol-2-yl)-methyl-triphenyl-λ5-phosphane is CCc1ccc2[nH]c(P(C)(c3ccccc3)(c3ccccc3)c3ccccc3)cc2c1.
What is the InChIKey of (5-ethyl-1H-indol-2-yl)-methyl-triphenyl-λ5-phosphane?
The InChIKey is LJVQVXPBSYJKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28NP/c1-3-23-19-20-28-24(21-23)22-29(30-28)31(2,25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-22,30H,3H2,1-2H3.
What are the key properties of (5-ethyl-1H-indol-2-yl)-methyl-triphenyl-λ5-phosphane?
(5-ethyl-1H-indol-2-yl)-methyl-triphenyl-λ5-phosphane has a molecular weight of 421.52 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1H-indol-2-yl)-methyl-triphenyl-λ5-phosphane is sourced from PubChem (CID 173310644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).