6-bromobenzo[c]phenanthridine

C17H10BrN — CID 151634252

IUPAC6-bromobenzo[c]phenanthridine
SMILESBrc1nc2c3ccccc3ccc2c2ccccc12
InChIInChI=1S/C17H10BrN/c18-17-15-8-4-3-7-13(15)14-10-9-11-5-1-2-6-12(11)16(14)19-17/h1-10H
InChIKeyQRDZSAMMTQPXEK-UHFFFAOYSA-N
MW308.18 g/mol
LogP5.30
Rot. Bonds

About 6-bromobenzo[c]phenanthridine

6-bromobenzo[c]phenanthridine (PubChem CID 151634252) has the molecular formula C17H10BrN and a molecular weight of 308.18 g/mol. Its IUPAC name is 6-bromobenzo[c]phenanthridine.

Molecular Properties

Compound Name6-bromobenzo[c]phenanthridine
PubChem CID151634252
Molecular FormulaC17H10BrN
Molecular Weight308.18 g/mol
Exact Mass307.00
IUPAC Name6-bromobenzo[c]phenanthridine
SMILESBrc1nc2c3ccccc3ccc2c2ccccc12
InChIInChI=1S/C17H10BrN/c18-17-15-8-4-3-7-13(15)14-10-9-11-5-1-2-6-12(11)16(14)19-17/h1-10H
InChIKeyQRDZSAMMTQPXEK-UHFFFAOYSA-N
XLogP5.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.18
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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-bromobenzo[c]phenanthridine?
The IUPAC name of 6-bromobenzo[c]phenanthridine (CID 151634252) is 6-bromobenzo[c]phenanthridine.
What is the SMILES notation for 6-bromobenzo[c]phenanthridine?
The canonical SMILES for 6-bromobenzo[c]phenanthridine is Brc1nc2c3ccccc3ccc2c2ccccc12.
What is the InChIKey of 6-bromobenzo[c]phenanthridine?
The InChIKey is QRDZSAMMTQPXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrN/c18-17-15-8-4-3-7-13(15)14-10-9-11-5-1-2-6-12(11)16(14)19-17/h1-10H.
What are the key properties of 6-bromobenzo[c]phenanthridine?
6-bromobenzo[c]phenanthridine has a molecular weight of 308.18 g/mol, XLogP of 5.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromobenzo[c]phenanthridine is sourced from PubChem (CID 151634252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).