benzo[c]phenanthrene-5-carbonylimino(imino)azanium

C19H12N3O+ — CID 6332438

IUPACbenzo[c]phenanthrene-5-carbonylimino(imino)azanium
SMILESN=[N+]=NC(=O)c1cc2ccc3ccccc3c2c2ccccc12
InChIInChI=1S/C19H12N3O/c20-22-21-19(23)17-11-13-10-9-12-5-1-2-6-14(12)18(13)16-8-4-3-7-15(16)17/h1-11,20H/q+1
InChIKeyYBTNVYMJQISFCB-UHFFFAOYSA-N
MW298.33 g/mol
LogP4.84
Rot. Bonds1

About benzo[c]phenanthrene-5-carbonylimino(imino)azanium

benzo[c]phenanthrene-5-carbonylimino(imino)azanium (PubChem CID 6332438) has the molecular formula C19H12N3O+ and a molecular weight of 298.33 g/mol. Its IUPAC name is benzo[c]phenanthrene-5-carbonylimino(imino)azanium.

Molecular Properties

Compound Namebenzo[c]phenanthrene-5-carbonylimino(imino)azanium
PubChem CID6332438
Molecular FormulaC19H12N3O+
Molecular Weight298.33 g/mol
Exact Mass298.10
IUPAC Namebenzo[c]phenanthrene-5-carbonylimino(imino)azanium
SMILESN=[N+]=NC(=O)c1cc2ccc3ccccc3c2c2ccccc12
InChIInChI=1S/C19H12N3O/c20-22-21-19(23)17-11-13-10-9-12-5-1-2-6-14(12)18(13)16-8-4-3-7-15(16)17/h1-11,20H/q+1
InChIKeyYBTNVYMJQISFCB-UHFFFAOYSA-N
XLogP4.84
TPSA67.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzo[c]phenanthrene-5-carbonylimino(imino)azanium?
The IUPAC name of benzo[c]phenanthrene-5-carbonylimino(imino)azanium (CID 6332438) is benzo[c]phenanthrene-5-carbonylimino(imino)azanium.
What is the SMILES notation for benzo[c]phenanthrene-5-carbonylimino(imino)azanium?
The canonical SMILES for benzo[c]phenanthrene-5-carbonylimino(imino)azanium is N=[N+]=NC(=O)c1cc2ccc3ccccc3c2c2ccccc12.
What is the InChIKey of benzo[c]phenanthrene-5-carbonylimino(imino)azanium?
The InChIKey is YBTNVYMJQISFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N3O/c20-22-21-19(23)17-11-13-10-9-12-5-1-2-6-14(12)18(13)16-8-4-3-7-15(16)17/h1-11,20H/q+1.
What are the key properties of benzo[c]phenanthrene-5-carbonylimino(imino)azanium?
benzo[c]phenanthrene-5-carbonylimino(imino)azanium has a molecular weight of 298.33 g/mol, XLogP of 4.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[c]phenanthrene-5-carbonylimino(imino)azanium is sourced from PubChem (CID 6332438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).