5-(1,8a-dihydronaphthalen-2-yl)-10-methylbenzo[g]isoquinoline

C24H19N — CID 155480865

IUPAC5-(1,8a-dihydronaphthalen-2-yl)-10-methylbenzo[g]isoquinoline
SMILESCc1c2ccccc2c(C2=CC=C3C=CC=CC3C2)c2ccncc12
InChIInChI=1S/C24H19N/c1-16-20-8-4-5-9-21(20)24(22-12-13-25-15-23(16)22)19-11-10-17-6-2-3-7-18(17)14-19/h2-13,15,18H,14H2,1H3
InChIKeyKSMOQFTYHFWYEI-UHFFFAOYSA-N
MW321.42 g/mol
LogP6.15
Rot. Bonds1

About 5-(1,8a-dihydronaphthalen-2-yl)-10-methylbenzo[g]isoquinoline

5-(1,8a-dihydronaphthalen-2-yl)-10-methylbenzo[g]isoquinoline (PubChem CID 155480865) has the molecular formula C24H19N and a molecular weight of 321.42 g/mol. Its IUPAC name is 5-(1,8a-dihydronaphthalen-2-yl)-10-methylbenzo[g]isoquinoline.

Molecular Properties

Compound Name5-(1,8a-dihydronaphthalen-2-yl)-10-methylbenzo[g]isoquinoline
PubChem CID155480865
Molecular FormulaC24H19N
Molecular Weight321.42 g/mol
Exact Mass321.15
IUPAC Name5-(1,8a-dihydronaphthalen-2-yl)-10-methylbenzo[g]isoquinoline
SMILESCc1c2ccccc2c(C2=CC=C3C=CC=CC3C2)c2ccncc12
InChIInChI=1S/C24H19N/c1-16-20-8-4-5-9-21(20)24(22-12-13-25-15-23(16)22)19-11-10-17-6-2-3-7-18(17)14-19/h2-13,15,18H,14H2,1H3
InChIKeyKSMOQFTYHFWYEI-UHFFFAOYSA-N
XLogP6.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.42
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1,8a-dihydronaphthalen-2-yl)-10-methylbenzo[g]isoquinoline?
The IUPAC name of 5-(1,8a-dihydronaphthalen-2-yl)-10-methylbenzo[g]isoquinoline (CID 155480865) is 5-(1,8a-dihydronaphthalen-2-yl)-10-methylbenzo[g]isoquinoline.
What is the SMILES notation for 5-(1,8a-dihydronaphthalen-2-yl)-10-methylbenzo[g]isoquinoline?
The canonical SMILES for 5-(1,8a-dihydronaphthalen-2-yl)-10-methylbenzo[g]isoquinoline is Cc1c2ccccc2c(C2=CC=C3C=CC=CC3C2)c2ccncc12.
What is the InChIKey of 5-(1,8a-dihydronaphthalen-2-yl)-10-methylbenzo[g]isoquinoline?
The InChIKey is KSMOQFTYHFWYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N/c1-16-20-8-4-5-9-21(20)24(22-12-13-25-15-23(16)22)19-11-10-17-6-2-3-7-18(17)14-19/h2-13,15,18H,14H2,1H3.
What are the key properties of 5-(1,8a-dihydronaphthalen-2-yl)-10-methylbenzo[g]isoquinoline?
5-(1,8a-dihydronaphthalen-2-yl)-10-methylbenzo[g]isoquinoline has a molecular weight of 321.42 g/mol, XLogP of 6.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,8a-dihydronaphthalen-2-yl)-10-methylbenzo[g]isoquinoline is sourced from PubChem (CID 155480865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).