6,10-dibromophenanthren-9-amine

C14H9Br2N — CID 171782215

IUPAC6,10-dibromophenanthren-9-amine
SMILESNc1c(Br)c2ccccc2c2cc(Br)ccc12
InChIInChI=1S/C14H9Br2N/c15-8-5-6-11-12(7-8)9-3-1-2-4-10(9)13(16)14(11)17/h1-7H,17H2
InChIKeyXSKRLCBMRVVFPN-UHFFFAOYSA-N
MW351.04 g/mol
LogP5.10
Rot. Bonds

About 6,10-dibromophenanthren-9-amine

6,10-dibromophenanthren-9-amine (PubChem CID 171782215) has the molecular formula C14H9Br2N and a molecular weight of 351.04 g/mol. Its IUPAC name is 6,10-dibromophenanthren-9-amine.

Molecular Properties

Compound Name6,10-dibromophenanthren-9-amine
PubChem CID171782215
Molecular FormulaC14H9Br2N
Molecular Weight351.04 g/mol
Exact Mass348.91
IUPAC Name6,10-dibromophenanthren-9-amine
SMILESNc1c(Br)c2ccccc2c2cc(Br)ccc12
InChIInChI=1S/C14H9Br2N/c15-8-5-6-11-12(7-8)9-3-1-2-4-10(9)13(16)14(11)17/h1-7H,17H2
InChIKeyXSKRLCBMRVVFPN-UHFFFAOYSA-N
XLogP5.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.04
LogP ≤ 55.10
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 6,10-dibromophenanthren-9-amine?
The IUPAC name of 6,10-dibromophenanthren-9-amine (CID 171782215) is 6,10-dibromophenanthren-9-amine.
What is the SMILES notation for 6,10-dibromophenanthren-9-amine?
The canonical SMILES for 6,10-dibromophenanthren-9-amine is Nc1c(Br)c2ccccc2c2cc(Br)ccc12.
What is the InChIKey of 6,10-dibromophenanthren-9-amine?
The InChIKey is XSKRLCBMRVVFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2N/c15-8-5-6-11-12(7-8)9-3-1-2-4-10(9)13(16)14(11)17/h1-7H,17H2.
What are the key properties of 6,10-dibromophenanthren-9-amine?
6,10-dibromophenanthren-9-amine has a molecular weight of 351.04 g/mol, XLogP of 5.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dibromophenanthren-9-amine is sourced from PubChem (CID 171782215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).