3,3-bis(4-aminophenyl)-1H-indol-2-one

C20H17N3O — CID 2894099

IUPAC3,3-bis(4-aminophenyl)-1H-indol-2-one
SMILESNc1ccc(C2(c3ccc(N)cc3)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C20H17N3O/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)17-3-1-2-4-18(17)23-19(20)24/h1-12H,21-22H2,(H,23,24)
InChIKeyUGBNDQSCIUXMKT-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.14
Rot. Bonds2

About 3,3-bis(4-aminophenyl)-1H-indol-2-one

3,3-bis(4-aminophenyl)-1H-indol-2-one (PubChem CID 2894099) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 3,3-bis(4-aminophenyl)-1H-indol-2-one.

Molecular Properties

Compound Name3,3-bis(4-aminophenyl)-1H-indol-2-one
PubChem CID2894099
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name3,3-bis(4-aminophenyl)-1H-indol-2-one
SMILESNc1ccc(C2(c3ccc(N)cc3)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C20H17N3O/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)17-3-1-2-4-18(17)23-19(20)24/h1-12H,21-22H2,(H,23,24)
InChIKeyUGBNDQSCIUXMKT-UHFFFAOYSA-N
XLogP3.14
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-aminophenyl)-1H-indol-2-one?
The IUPAC name of 3,3-bis(4-aminophenyl)-1H-indol-2-one (CID 2894099) is 3,3-bis(4-aminophenyl)-1H-indol-2-one.
What is the SMILES notation for 3,3-bis(4-aminophenyl)-1H-indol-2-one?
The canonical SMILES for 3,3-bis(4-aminophenyl)-1H-indol-2-one is Nc1ccc(C2(c3ccc(N)cc3)C(=O)Nc3ccccc32)cc1.
What is the InChIKey of 3,3-bis(4-aminophenyl)-1H-indol-2-one?
The InChIKey is UGBNDQSCIUXMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)17-3-1-2-4-18(17)23-19(20)24/h1-12H,21-22H2,(H,23,24).
What are the key properties of 3,3-bis(4-aminophenyl)-1H-indol-2-one?
3,3-bis(4-aminophenyl)-1H-indol-2-one has a molecular weight of 315.38 g/mol, XLogP of 3.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-aminophenyl)-1H-indol-2-one is sourced from PubChem (CID 2894099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).