4-(1H-indol-5-yl)-N-phenylaniline

C20H16N2 — CID 134533945

IUPAC4-(1H-indol-5-yl)-N-phenylaniline
SMILESc1ccc(Nc2ccc(-c3ccc4[nH]ccc4c3)cc2)cc1
InChIInChI=1S/C20H16N2/c1-2-4-18(5-3-1)22-19-9-6-15(7-10-19)16-8-11-20-17(14-16)12-13-21-20/h1-14,21-22H
InChIKeyIBXOWHXVCBJRNV-UHFFFAOYSA-N
MW284.36 g/mol
LogP5.58
Rot. Bonds3

About 4-(1H-indol-5-yl)-N-phenylaniline

4-(1H-indol-5-yl)-N-phenylaniline (PubChem CID 134533945) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(1H-indol-5-yl)-N-phenylaniline.

Molecular Properties

Compound Name4-(1H-indol-5-yl)-N-phenylaniline
PubChem CID134533945
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC Name4-(1H-indol-5-yl)-N-phenylaniline
SMILESc1ccc(Nc2ccc(-c3ccc4[nH]ccc4c3)cc2)cc1
InChIInChI=1S/C20H16N2/c1-2-4-18(5-3-1)22-19-9-6-15(7-10-19)16-8-11-20-17(14-16)12-13-21-20/h1-14,21-22H
InChIKeyIBXOWHXVCBJRNV-UHFFFAOYSA-N
XLogP5.58
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-5-yl)-N-phenylaniline?
The IUPAC name of 4-(1H-indol-5-yl)-N-phenylaniline (CID 134533945) is 4-(1H-indol-5-yl)-N-phenylaniline.
What is the SMILES notation for 4-(1H-indol-5-yl)-N-phenylaniline?
The canonical SMILES for 4-(1H-indol-5-yl)-N-phenylaniline is c1ccc(Nc2ccc(-c3ccc4[nH]ccc4c3)cc2)cc1.
What is the InChIKey of 4-(1H-indol-5-yl)-N-phenylaniline?
The InChIKey is IBXOWHXVCBJRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2/c1-2-4-18(5-3-1)22-19-9-6-15(7-10-19)16-8-11-20-17(14-16)12-13-21-20/h1-14,21-22H.
What are the key properties of 4-(1H-indol-5-yl)-N-phenylaniline?
4-(1H-indol-5-yl)-N-phenylaniline has a molecular weight of 284.36 g/mol, XLogP of 5.58, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-5-yl)-N-phenylaniline is sourced from PubChem (CID 134533945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).