[6-[2-(1H-indol-2-yl)ethyl]-2-pyridinyl]-diphenylphosphane

C27H23N2P — CID 129046735

IUPAC[6-[2-(1H-indol-2-yl)ethyl]-2-pyridinyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2cccc(CCc3cc4ccccc4[nH]3)n2)cc1
InChIInChI=1S/C27H23N2P/c1-3-12-24(13-4-1)30(25-14-5-2-6-15-25)27-17-9-11-22(29-27)18-19-23-20-21-10-7-8-16-26(21)28-23/h1-17,20,28H,18-19H2
InChIKeyPWUIBZCWIWZDKO-UHFFFAOYSA-N
MW406.47 g/mol
LogP5.11
Rot. Bonds6

About [6-[2-(1H-indol-2-yl)ethyl]-2-pyridinyl]-diphenylphosphane

[6-[2-(1H-indol-2-yl)ethyl]-2-pyridinyl]-diphenylphosphane (PubChem CID 129046735) has the molecular formula C27H23N2P and a molecular weight of 406.47 g/mol. Its IUPAC name is [6-[2-(1H-indol-2-yl)ethyl]-2-pyridinyl]-diphenylphosphane.

Molecular Properties

Compound Name[6-[2-(1H-indol-2-yl)ethyl]-2-pyridinyl]-diphenylphosphane
PubChem CID129046735
Molecular FormulaC27H23N2P
Molecular Weight406.47 g/mol
Exact Mass406.16
IUPAC Name[6-[2-(1H-indol-2-yl)ethyl]-2-pyridinyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2cccc(CCc3cc4ccccc4[nH]3)n2)cc1
InChIInChI=1S/C27H23N2P/c1-3-12-24(13-4-1)30(25-14-5-2-6-15-25)27-17-9-11-22(29-27)18-19-23-20-21-10-7-8-16-26(21)28-23/h1-17,20,28H,18-19H2
InChIKeyPWUIBZCWIWZDKO-UHFFFAOYSA-N
XLogP5.11
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.47
LogP ≤ 55.11
H-Bond Donors ≤ 51
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 [6-[2-(1H-indol-2-yl)ethyl]-2-pyridinyl]-diphenylphosphane?
The IUPAC name of [6-[2-(1H-indol-2-yl)ethyl]-2-pyridinyl]-diphenylphosphane (CID 129046735) is [6-[2-(1H-indol-2-yl)ethyl]-2-pyridinyl]-diphenylphosphane.
What is the SMILES notation for [6-[2-(1H-indol-2-yl)ethyl]-2-pyridinyl]-diphenylphosphane?
The canonical SMILES for [6-[2-(1H-indol-2-yl)ethyl]-2-pyridinyl]-diphenylphosphane is c1ccc(P(c2ccccc2)c2cccc(CCc3cc4ccccc4[nH]3)n2)cc1.
What is the InChIKey of [6-[2-(1H-indol-2-yl)ethyl]-2-pyridinyl]-diphenylphosphane?
The InChIKey is PWUIBZCWIWZDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N2P/c1-3-12-24(13-4-1)30(25-14-5-2-6-15-25)27-17-9-11-22(29-27)18-19-23-20-21-10-7-8-16-26(21)28-23/h1-17,20,28H,18-19H2.
What are the key properties of [6-[2-(1H-indol-2-yl)ethyl]-2-pyridinyl]-diphenylphosphane?
[6-[2-(1H-indol-2-yl)ethyl]-2-pyridinyl]-diphenylphosphane has a molecular weight of 406.47 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(1H-indol-2-yl)ethyl]-2-pyridinyl]-diphenylphosphane is sourced from PubChem (CID 129046735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).