[3-(1H-indol-4-yl)phenyl]phosphane

C14H12NP — CID 142467454

IUPAC[3-(1H-indol-4-yl)phenyl]phosphane
SMILESPc1cccc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C14H12NP/c16-11-4-1-3-10(9-11)12-5-2-6-14-13(12)7-8-15-14/h1-9,15H,16H2
InChIKeyXCJUGQOBACJBLN-UHFFFAOYSA-N
MW225.23 g/mol
LogP3.34
Rot. Bonds1

About [3-(1H-indol-4-yl)phenyl]phosphane

[3-(1H-indol-4-yl)phenyl]phosphane (PubChem CID 142467454) has the molecular formula C14H12NP and a molecular weight of 225.23 g/mol. Its IUPAC name is [3-(1H-indol-4-yl)phenyl]phosphane.

Molecular Properties

Compound Name[3-(1H-indol-4-yl)phenyl]phosphane
PubChem CID142467454
Molecular FormulaC14H12NP
Molecular Weight225.23 g/mol
Exact Mass225.07
IUPAC Name[3-(1H-indol-4-yl)phenyl]phosphane
SMILESPc1cccc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C14H12NP/c16-11-4-1-3-10(9-11)12-5-2-6-14-13(12)7-8-15-14/h1-9,15H,16H2
InChIKeyXCJUGQOBACJBLN-UHFFFAOYSA-N
XLogP3.34
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 53.34
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

ethane;4-(3-propan-2-ylphenyl)-1H-indole
CID 156726959
4-[3,5-bis(trifluoromethyl)phenyl]-1H-indole
CID 59107889
2-fluoro-5-(1H-indol-4-yl)benzonitrile
CID 22561837
5-(1H-indol-4-yl)-1H-pyridin-2-one
CID 122200265
4-(3-chloro-2-pyridinyl)-1H-indole
CID 56704987
4-(4-methylsulfonylphenyl)-1H-indole
CID 50973001
4-(2,3-dichlorophenyl)-1H-indole
CID 172647420
4-(2,4-difluorophenyl)-1H-indole
CID 22561815
4-spiro[adamantane-2,9'-fluorene]-2'-yl-1H-indole
CID 164940769
4-(4-ethoxyphenyl)-1H-indole
CID 141124806
1H-indol-4-ol
CID 102220556
N-[3-(1H-indol-4-yl)phenyl]morpholine-4-carboxamide
CID 135372064

Frequently Asked Questions

What is the IUPAC name of [3-(1H-indol-4-yl)phenyl]phosphane?
The IUPAC name of [3-(1H-indol-4-yl)phenyl]phosphane (CID 142467454) is [3-(1H-indol-4-yl)phenyl]phosphane.
What is the SMILES notation for [3-(1H-indol-4-yl)phenyl]phosphane?
The canonical SMILES for [3-(1H-indol-4-yl)phenyl]phosphane is Pc1cccc(-c2cccc3[nH]ccc23)c1.
What is the InChIKey of [3-(1H-indol-4-yl)phenyl]phosphane?
The InChIKey is XCJUGQOBACJBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12NP/c16-11-4-1-3-10(9-11)12-5-2-6-14-13(12)7-8-15-14/h1-9,15H,16H2.
What are the key properties of [3-(1H-indol-4-yl)phenyl]phosphane?
[3-(1H-indol-4-yl)phenyl]phosphane has a molecular weight of 225.23 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-indol-4-yl)phenyl]phosphane is sourced from PubChem (CID 142467454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).