benzo[k]phenanthridine;isoquinoline

C26H18N2 — CID 67914193

IUPACbenzo[k]phenanthridine;isoquinoline
SMILESc1ccc2c(c1)ccc1cnc3ccccc3c12.c1ccc2cnccc2c1
InChIInChI=1S/C17H11N.C9H7N/c1-2-6-14-12(5-1)9-10-13-11-18-16-8-4-3-7-15(16)17(13)14;1-2-4-9-7-10-6-5-8(9)3-1/h1-11H;1-7H
InChIKeyLOAQRYJNIQZQQB-UHFFFAOYSA-N
MW358.44 g/mol
LogP6.78
Rot. Bonds

About benzo[k]phenanthridine;isoquinoline

benzo[k]phenanthridine;isoquinoline (PubChem CID 67914193) has the molecular formula C26H18N2 and a molecular weight of 358.44 g/mol. Its IUPAC name is benzo[k]phenanthridine;isoquinoline.

Molecular Properties

Compound Namebenzo[k]phenanthridine;isoquinoline
PubChem CID67914193
Molecular FormulaC26H18N2
Molecular Weight358.44 g/mol
Exact Mass358.15
IUPAC Namebenzo[k]phenanthridine;isoquinoline
SMILESc1ccc2c(c1)ccc1cnc3ccccc3c12.c1ccc2cnccc2c1
InChIInChI=1S/C17H11N.C9H7N/c1-2-6-14-12(5-1)9-10-13-11-18-16-8-4-3-7-15(16)17(13)14;1-2-4-9-7-10-6-5-8(9)3-1/h1-11H;1-7H
InChIKeyLOAQRYJNIQZQQB-UHFFFAOYSA-N
XLogP6.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acridine;isoquinoline;phenanthridine;quinoline
CID 159436284
dichloroiron;isoquinoline
CID 157065360
10-methylphenanthridine
CID 101052009
1-chlorohexadecane;isoquinoline
CID 67317092
ethane;isoquinoline;hydroiodide
CID 153349858
isoquinoline;1,3,5-triazine
CID 175198893
hydroxylamine;isoquinoline
CID 158472415
phenanthridine
CID 9189
phenanthridine;platinum(2+)
CID 23616726
6-naphthalen-2-ylisoquinoline
CID 59724414
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
isoquinoline;quinoxaline-2-carboxylic acid
CID 159466037

Frequently Asked Questions

What is the IUPAC name of benzo[k]phenanthridine;isoquinoline?
The IUPAC name of benzo[k]phenanthridine;isoquinoline (CID 67914193) is benzo[k]phenanthridine;isoquinoline.
What is the SMILES notation for benzo[k]phenanthridine;isoquinoline?
The canonical SMILES for benzo[k]phenanthridine;isoquinoline is c1ccc2c(c1)ccc1cnc3ccccc3c12.c1ccc2cnccc2c1.
What is the InChIKey of benzo[k]phenanthridine;isoquinoline?
The InChIKey is LOAQRYJNIQZQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N.C9H7N/c1-2-6-14-12(5-1)9-10-13-11-18-16-8-4-3-7-15(16)17(13)14;1-2-4-9-7-10-6-5-8(9)3-1/h1-11H;1-7H.
What are the key properties of benzo[k]phenanthridine;isoquinoline?
benzo[k]phenanthridine;isoquinoline has a molecular weight of 358.44 g/mol, XLogP of 6.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[k]phenanthridine;isoquinoline is sourced from PubChem (CID 67914193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).