12-pyridin-3-ylacenaphthyleno[2,1-g]isoquinoline

C24H14N2 — CID 15349685

IUPAC12-pyridin-3-ylacenaphthyleno[2,1-g]isoquinoline
SMILESc1cncc(-c2c3c(cc4cnccc24)-c2cccc4cccc-3c24)c1
InChIInChI=1S/C24H14N2/c1-4-15-5-2-8-20-22(15)19(7-1)21-12-17-14-26-11-9-18(17)23(24(20)21)16-6-3-10-25-13-16/h1-14H
InChIKeyQALZAIUKQJBDLT-UHFFFAOYSA-N
MW330.39 g/mol
LogP6.10
Rot. Bonds1

About 12-pyridin-3-ylacenaphthyleno[2,1-g]isoquinoline

12-pyridin-3-ylacenaphthyleno[2,1-g]isoquinoline (PubChem CID 15349685) has the molecular formula C24H14N2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 12-pyridin-3-ylacenaphthyleno[2,1-g]isoquinoline.

Molecular Properties

Compound Name12-pyridin-3-ylacenaphthyleno[2,1-g]isoquinoline
PubChem CID15349685
Molecular FormulaC24H14N2
Molecular Weight330.39 g/mol
Exact Mass330.12
IUPAC Name12-pyridin-3-ylacenaphthyleno[2,1-g]isoquinoline
SMILESc1cncc(-c2c3c(cc4cnccc24)-c2cccc4cccc-3c24)c1
InChIInChI=1S/C24H14N2/c1-4-15-5-2-8-20-22(15)19(7-1)21-12-17-14-26-11-9-18(17)23(24(20)21)16-6-3-10-25-13-16/h1-14H
InChIKeyQALZAIUKQJBDLT-UHFFFAOYSA-N
XLogP6.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.39
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Chlorobenzo(f)isoquinoline
CID 11401613
Indeno(1,2,3-ij)(2,7)naphthyridine
CID 72486
4-Fluoren-9-ylidenemethyl-pyridine
CID 256445
3-(9h-Fluoren-9-ylidenemethyl)pyridine
CID 256446
3-{[(1E)-4-methyl-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539775
(Isoquinolinemethylene)indane 30a
CID 6539812
3-(1,2-Dihydroacenaphthylen-3-yl)pyridine
CID 11586681
6-Pyridin-3-yl-2-naphthonitrile
CID 11601068
3-(Naphthalen-2-yl)pyridine
CID 11845485
3-(3-Benzylnaphthalen-2-yl)pyridine
CID 25130517
3-(5,6,7,8-Tetrahydronaphthalen-2-yl)pyridine
CID 25180303
1-(2-(1-Benzylpiperidin-4-yl)ethyl)isoquinoline
CID 9996767

Frequently Asked Questions

What is the IUPAC name of 12-pyridin-3-ylacenaphthyleno[2,1-g]isoquinoline?
The IUPAC name of 12-pyridin-3-ylacenaphthyleno[2,1-g]isoquinoline (CID 15349685) is 12-pyridin-3-ylacenaphthyleno[2,1-g]isoquinoline.
What is the SMILES notation for 12-pyridin-3-ylacenaphthyleno[2,1-g]isoquinoline?
The canonical SMILES for 12-pyridin-3-ylacenaphthyleno[2,1-g]isoquinoline is c1cncc(-c2c3c(cc4cnccc24)-c2cccc4cccc-3c24)c1.
What is the InChIKey of 12-pyridin-3-ylacenaphthyleno[2,1-g]isoquinoline?
The InChIKey is QALZAIUKQJBDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N2/c1-4-15-5-2-8-20-22(15)19(7-1)21-12-17-14-26-11-9-18(17)23(24(20)21)16-6-3-10-25-13-16/h1-14H.
What are the key properties of 12-pyridin-3-ylacenaphthyleno[2,1-g]isoquinoline?
12-pyridin-3-ylacenaphthyleno[2,1-g]isoquinoline has a molecular weight of 330.39 g/mol, XLogP of 6.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-pyridin-3-ylacenaphthyleno[2,1-g]isoquinoline is sourced from PubChem (CID 15349685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).