(4-aminophenyl)-(3H-benzo[e]indol-2-yl)methanone

C19H14N2O — CID 53348204

IUPAC(4-aminophenyl)-(3H-benzo[e]indol-2-yl)methanone
SMILESNc1ccc(C(=O)c2cc3c(ccc4ccccc43)[nH]2)cc1
InChIInChI=1S/C19H14N2O/c20-14-8-5-13(6-9-14)19(22)18-11-16-15-4-2-1-3-12(15)7-10-17(16)21-18/h1-11,21H,20H2
InChIKeyFRIGMYLLVAJOTF-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.13
Rot. Bonds2

About (4-aminophenyl)-(3H-benzo[e]indol-2-yl)methanone

(4-aminophenyl)-(3H-benzo[e]indol-2-yl)methanone (PubChem CID 53348204) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is (4-aminophenyl)-(3H-benzo[e]indol-2-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(3H-benzo[e]indol-2-yl)methanone
PubChem CID53348204
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name(4-aminophenyl)-(3H-benzo[e]indol-2-yl)methanone
SMILESNc1ccc(C(=O)c2cc3c(ccc4ccccc43)[nH]2)cc1
InChIInChI=1S/C19H14N2O/c20-14-8-5-13(6-9-14)19(22)18-11-16-15-4-2-1-3-12(15)7-10-17(16)21-18/h1-11,21H,20H2
InChIKeyFRIGMYLLVAJOTF-UHFFFAOYSA-N
XLogP4.13
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(3H-benzo[e]indol-2-yl)methanone?
The IUPAC name of (4-aminophenyl)-(3H-benzo[e]indol-2-yl)methanone (CID 53348204) is (4-aminophenyl)-(3H-benzo[e]indol-2-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(3H-benzo[e]indol-2-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(3H-benzo[e]indol-2-yl)methanone is Nc1ccc(C(=O)c2cc3c(ccc4ccccc43)[nH]2)cc1.
What is the InChIKey of (4-aminophenyl)-(3H-benzo[e]indol-2-yl)methanone?
The InChIKey is FRIGMYLLVAJOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c20-14-8-5-13(6-9-14)19(22)18-11-16-15-4-2-1-3-12(15)7-10-17(16)21-18/h1-11,21H,20H2.
What are the key properties of (4-aminophenyl)-(3H-benzo[e]indol-2-yl)methanone?
(4-aminophenyl)-(3H-benzo[e]indol-2-yl)methanone has a molecular weight of 286.33 g/mol, XLogP of 4.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(3H-benzo[e]indol-2-yl)methanone is sourced from PubChem (CID 53348204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).