8-phenanthren-9-ylisoquinoline

C23H15N — CID 171383107

IUPAC8-phenanthren-9-ylisoquinoline
SMILESc1cc(-c2cc3ccccc3c3ccccc23)c2cnccc2c1
InChIInChI=1S/C23H15N/c1-2-8-18-17(6-1)14-22(20-10-4-3-9-19(18)20)21-11-5-7-16-12-13-24-15-23(16)21/h1-15H
InChIKeyBGLPDTRARZMEBY-UHFFFAOYSA-N
MW305.38 g/mol
LogP6.21
Rot. Bonds1

About 8-phenanthren-9-ylisoquinoline

8-phenanthren-9-ylisoquinoline (PubChem CID 171383107) has the molecular formula C23H15N and a molecular weight of 305.38 g/mol. Its IUPAC name is 8-phenanthren-9-ylisoquinoline.

Molecular Properties

Compound Name8-phenanthren-9-ylisoquinoline
PubChem CID171383107
Molecular FormulaC23H15N
Molecular Weight305.38 g/mol
Exact Mass305.12
IUPAC Name8-phenanthren-9-ylisoquinoline
SMILESc1cc(-c2cc3ccccc3c3ccccc23)c2cnccc2c1
InChIInChI=1S/C23H15N/c1-2-8-18-17(6-1)14-22(20-10-4-3-9-19(18)20)21-11-5-7-16-12-13-24-15-23(16)21/h1-15H
InChIKeyBGLPDTRARZMEBY-UHFFFAOYSA-N
XLogP6.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.38
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-naphthalen-1-ylphenanthrene
CID 20606742
9,20-dinaphthalen-1-ylhexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene;9,20-di(phenanthren-9-yl)hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
CID 160967595
4-naphthalen-1-yl-1,6-naphthyridine
CID 166273330
9-(5-bromonaphthalen-1-yl)phenanthrene
CID 166985687
4-phenanthren-9-ylbenzo[a]anthracene
CID 59412790
3-methyl-4-naphthalen-1-ylpyridine
CID 12872900
8-(2-fluoro-4-methylphenyl)isoquinoline
CID 90260610
5-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphtho[1,2-h]isoquinoline
CID 174288208
9-(2-methyl-3-phenanthren-9-ylphenyl)phenanthrene
CID 58099808
5-anthracen-1-ylbenzo[a]anthracene
CID 123576317
(4-fluoro-3-isoquinolin-8-ylphenyl)methanamine
CID 103144000
5-chlorobenzo[h]isoquinoline
CID 142525359

Frequently Asked Questions

What is the IUPAC name of 8-phenanthren-9-ylisoquinoline?
The IUPAC name of 8-phenanthren-9-ylisoquinoline (CID 171383107) is 8-phenanthren-9-ylisoquinoline.
What is the SMILES notation for 8-phenanthren-9-ylisoquinoline?
The canonical SMILES for 8-phenanthren-9-ylisoquinoline is c1cc(-c2cc3ccccc3c3ccccc23)c2cnccc2c1.
What is the InChIKey of 8-phenanthren-9-ylisoquinoline?
The InChIKey is BGLPDTRARZMEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N/c1-2-8-18-17(6-1)14-22(20-10-4-3-9-19(18)20)21-11-5-7-16-12-13-24-15-23(16)21/h1-15H.
What are the key properties of 8-phenanthren-9-ylisoquinoline?
8-phenanthren-9-ylisoquinoline has a molecular weight of 305.38 g/mol, XLogP of 6.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenanthren-9-ylisoquinoline is sourced from PubChem (CID 171383107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).