benzo[j]phenanthridin-7-amine

C17H12N2 — CID 126705433

IUPACbenzo[j]phenanthridin-7-amine
SMILESNc1c2ccccc2cc2c1cnc1ccccc12
InChIInChI=1S/C17H12N2/c18-17-12-6-2-1-5-11(12)9-14-13-7-3-4-8-16(13)19-10-15(14)17/h1-10H,18H2
InChIKeyZMDYQSPLJKCINO-UHFFFAOYSA-N
MW244.30 g/mol
LogP4.12
Rot. Bonds

About benzo[j]phenanthridin-7-amine

benzo[j]phenanthridin-7-amine (PubChem CID 126705433) has the molecular formula C17H12N2 and a molecular weight of 244.30 g/mol. Its IUPAC name is benzo[j]phenanthridin-7-amine.

Molecular Properties

Compound Namebenzo[j]phenanthridin-7-amine
PubChem CID126705433
Molecular FormulaC17H12N2
Molecular Weight244.30 g/mol
Exact Mass244.10
IUPAC Namebenzo[j]phenanthridin-7-amine
SMILESNc1c2ccccc2cc2c1cnc1ccccc12
InChIInChI=1S/C17H12N2/c18-17-12-6-2-1-5-11(12)9-14-13-7-3-4-8-16(13)19-10-15(14)17/h1-10H,18H2
InChIKeyZMDYQSPLJKCINO-UHFFFAOYSA-N
XLogP4.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

phenanthridine
CID 9189
phenanthridine;platinum(2+)
CID 23616726
10-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 15831757
7,12-di(anthracen-9-yl)benzo[j]phenanthridine
CID 59183577
3-anthracen-9-ylquinoline
CID 170654314
acridin-9-amine;λ2-plumbane
CID 173496858
CID 174439431
CID 174439431
benzo[g]quinolin-10-amine
CID 23616349
ethane;molecular hydrogen;quinolin-3-amine
CID 145187853
3-amino-1-benzazepin-5-one
CID 67614263
5-quinolin-3-ylpyrazin-2-amine
CID 29188711
N-(4-aminoquinolin-3-yl)formamide
CID 23043031

Frequently Asked Questions

What is the IUPAC name of benzo[j]phenanthridin-7-amine?
The IUPAC name of benzo[j]phenanthridin-7-amine (CID 126705433) is benzo[j]phenanthridin-7-amine.
What is the SMILES notation for benzo[j]phenanthridin-7-amine?
The canonical SMILES for benzo[j]phenanthridin-7-amine is Nc1c2ccccc2cc2c1cnc1ccccc12.
What is the InChIKey of benzo[j]phenanthridin-7-amine?
The InChIKey is ZMDYQSPLJKCINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2/c18-17-12-6-2-1-5-11(12)9-14-13-7-3-4-8-16(13)19-10-15(14)17/h1-10H,18H2.
What are the key properties of benzo[j]phenanthridin-7-amine?
benzo[j]phenanthridin-7-amine has a molecular weight of 244.30 g/mol, XLogP of 4.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[j]phenanthridin-7-amine is sourced from PubChem (CID 126705433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).