2-(1,2-dihydronaphtho[2,3-c]diazet-3-yl)naphthalen-1-amine

C20H15N3 — CID 155387864

IUPAC2-(1,2-dihydronaphtho[2,3-c]diazet-3-yl)naphthalen-1-amine
SMILESNc1c(-c2c3ccccc3cc3[nH][nH]c23)ccc2ccccc12
InChIInChI=1S/C20H15N3/c21-19-15-8-4-1-5-12(15)9-10-16(19)18-14-7-3-2-6-13(14)11-17-20(18)23-22-17/h1-11,22-23H,21H2
InChIKeyRVMBOORZCZREFW-UHFFFAOYSA-N
MW297.36 g/mol
LogP5.05
Rot. Bonds1

About 2-(1,2-dihydronaphtho[2,3-c]diazet-3-yl)naphthalen-1-amine

2-(1,2-dihydronaphtho[2,3-c]diazet-3-yl)naphthalen-1-amine (PubChem CID 155387864) has the molecular formula C20H15N3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-(1,2-dihydronaphtho[2,3-c]diazet-3-yl)naphthalen-1-amine.

Molecular Properties

Compound Name2-(1,2-dihydronaphtho[2,3-c]diazet-3-yl)naphthalen-1-amine
PubChem CID155387864
Molecular FormulaC20H15N3
Molecular Weight297.36 g/mol
Exact Mass297.13
IUPAC Name2-(1,2-dihydronaphtho[2,3-c]diazet-3-yl)naphthalen-1-amine
SMILESNc1c(-c2c3ccccc3cc3[nH][nH]c23)ccc2ccccc12
InChIInChI=1S/C20H15N3/c21-19-15-8-4-1-5-12(15)9-10-16(19)18-14-7-3-2-6-13(14)11-17-20(18)23-22-17/h1-11,22-23H,21H2
InChIKeyRVMBOORZCZREFW-UHFFFAOYSA-N
XLogP5.05
TPSA57.60 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.36
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydronaphtho[2,3-c]diazet-3-yl)naphthalen-1-amine?
The IUPAC name of 2-(1,2-dihydronaphtho[2,3-c]diazet-3-yl)naphthalen-1-amine (CID 155387864) is 2-(1,2-dihydronaphtho[2,3-c]diazet-3-yl)naphthalen-1-amine.
What is the SMILES notation for 2-(1,2-dihydronaphtho[2,3-c]diazet-3-yl)naphthalen-1-amine?
The canonical SMILES for 2-(1,2-dihydronaphtho[2,3-c]diazet-3-yl)naphthalen-1-amine is Nc1c(-c2c3ccccc3cc3[nH][nH]c23)ccc2ccccc12.
What is the InChIKey of 2-(1,2-dihydronaphtho[2,3-c]diazet-3-yl)naphthalen-1-amine?
The InChIKey is RVMBOORZCZREFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3/c21-19-15-8-4-1-5-12(15)9-10-16(19)18-14-7-3-2-6-13(14)11-17-20(18)23-22-17/h1-11,22-23H,21H2.
What are the key properties of 2-(1,2-dihydronaphtho[2,3-c]diazet-3-yl)naphthalen-1-amine?
2-(1,2-dihydronaphtho[2,3-c]diazet-3-yl)naphthalen-1-amine has a molecular weight of 297.36 g/mol, XLogP of 5.05, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydronaphtho[2,3-c]diazet-3-yl)naphthalen-1-amine is sourced from PubChem (CID 155387864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).