3-bromotriphenylen-2-amine

C18H12BrN — CID 142720460

IUPAC3-bromotriphenylen-2-amine
SMILESNc1cc2c3ccccc3c3ccccc3c2cc1Br
InChIInChI=1S/C18H12BrN/c19-17-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16(15)10-18(17)20/h1-10H,20H2
InChIKeyRSPGONLKQMHRTP-UHFFFAOYSA-N
MW322.21 g/mol
LogP5.49
Rot. Bonds

About 3-bromotriphenylen-2-amine

3-bromotriphenylen-2-amine (PubChem CID 142720460) has the molecular formula C18H12BrN and a molecular weight of 322.21 g/mol. Its IUPAC name is 3-bromotriphenylen-2-amine.

Molecular Properties

Compound Name3-bromotriphenylen-2-amine
PubChem CID142720460
Molecular FormulaC18H12BrN
Molecular Weight322.21 g/mol
Exact Mass321.02
IUPAC Name3-bromotriphenylen-2-amine
SMILESNc1cc2c3ccccc3c3ccccc3c2cc1Br
InChIInChI=1S/C18H12BrN/c19-17-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16(15)10-18(17)20/h1-10H,20H2
InChIKeyRSPGONLKQMHRTP-UHFFFAOYSA-N
XLogP5.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.21
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromotriphenylen-2-amine?
The IUPAC name of 3-bromotriphenylen-2-amine (CID 142720460) is 3-bromotriphenylen-2-amine.
What is the SMILES notation for 3-bromotriphenylen-2-amine?
The canonical SMILES for 3-bromotriphenylen-2-amine is Nc1cc2c3ccccc3c3ccccc3c2cc1Br.
What is the InChIKey of 3-bromotriphenylen-2-amine?
The InChIKey is RSPGONLKQMHRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN/c19-17-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16(15)10-18(17)20/h1-10H,20H2.
What are the key properties of 3-bromotriphenylen-2-amine?
3-bromotriphenylen-2-amine has a molecular weight of 322.21 g/mol, XLogP of 5.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromotriphenylen-2-amine is sourced from PubChem (CID 142720460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).