2-naphthalen-2-ylbenzo[f]isoquinoline

C23H15N — CID 59470192

IUPAC2-naphthalen-2-ylbenzo[f]isoquinoline
SMILESc1ccc2cc(-c3cc4c(ccc5ccccc54)cn3)ccc2c1
InChIInChI=1S/C23H15N/c1-2-7-18-13-19(11-9-16(18)5-1)23-14-22-20(15-24-23)12-10-17-6-3-4-8-21(17)22/h1-15H
InChIKeyDMUDZBJHBYWMLR-UHFFFAOYSA-N
MW305.38 g/mol
LogP6.21
Rot. Bonds1

About 2-naphthalen-2-ylbenzo[f]isoquinoline

2-naphthalen-2-ylbenzo[f]isoquinoline (PubChem CID 59470192) has the molecular formula C23H15N and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-naphthalen-2-ylbenzo[f]isoquinoline.

Molecular Properties

Compound Name2-naphthalen-2-ylbenzo[f]isoquinoline
PubChem CID59470192
Molecular FormulaC23H15N
Molecular Weight305.38 g/mol
Exact Mass305.12
IUPAC Name2-naphthalen-2-ylbenzo[f]isoquinoline
SMILESc1ccc2cc(-c3cc4c(ccc5ccccc54)cn3)ccc2c1
InChIInChI=1S/C23H15N/c1-2-7-18-13-19(11-9-16(18)5-1)23-14-22-20(15-24-23)12-10-17-6-3-4-8-21(17)22/h1-15H
InChIKeyDMUDZBJHBYWMLR-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

2-[4-(trifluoromethyl)phenyl]benzo[f]isoquinoline
CID 59470271
3-phenanthren-3-ylbenzo[h]isoquinoline
CID 59470233
3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]isoquinoline
CID 118543541
2-naphthalen-2-yl-5-(10-naphthalen-2-ylanthracen-9-yl)pyridine
CID 121277468
2-naphthalen-2-ylphenanthrene
CID 90738367
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[f]isoquinoline
CID 59470260
3-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline
CID 118543537
5-naphthalen-2-yl-2-(3-naphthalen-2-yl-10-phenanthren-2-ylanthracen-9-yl)pyridine
CID 89023620
5-(10-naphthalen-2-ylanthracen-9-yl)-2-[3-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]phenyl]pyridine
CID 174903865
2-[4-[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]benzo[f]isoquinoline
CID 140780616
9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene
CID 58194365
trimethyl-(6-phenanthren-2-yl-3-pyridinyl)silane
CID 164792219

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylbenzo[f]isoquinoline?
The IUPAC name of 2-naphthalen-2-ylbenzo[f]isoquinoline (CID 59470192) is 2-naphthalen-2-ylbenzo[f]isoquinoline.
What is the SMILES notation for 2-naphthalen-2-ylbenzo[f]isoquinoline?
The canonical SMILES for 2-naphthalen-2-ylbenzo[f]isoquinoline is c1ccc2cc(-c3cc4c(ccc5ccccc54)cn3)ccc2c1.
What is the InChIKey of 2-naphthalen-2-ylbenzo[f]isoquinoline?
The InChIKey is DMUDZBJHBYWMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N/c1-2-7-18-13-19(11-9-16(18)5-1)23-14-22-20(15-24-23)12-10-17-6-3-4-8-21(17)22/h1-15H.
What are the key properties of 2-naphthalen-2-ylbenzo[f]isoquinoline?
2-naphthalen-2-ylbenzo[f]isoquinoline 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 2-naphthalen-2-ylbenzo[f]isoquinoline is sourced from PubChem (CID 59470192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).