5,7-dinaphthalen-1-yl-10-naphthalen-2-ylbenzo[g]isoquinoline

C43H27N — CID 59184100

IUPAC5,7-dinaphthalen-1-yl-10-naphthalen-2-ylbenzo[g]isoquinoline
SMILESc1ccc2cc(-c3c4cnccc4c(-c4cccc5ccccc45)c4cc(-c5cccc6ccccc56)ccc34)ccc2c1
InChIInChI=1S/C43H27N/c1-2-12-31-25-33(20-19-28(31)9-1)42-38-22-21-32(36-17-7-13-29-10-3-5-15-34(29)36)26-40(38)43(39-23-24-44-27-41(39)42)37-18-8-14-30-11-4-6-16-35(30)37/h1-27H
InChIKeyBMJLFNFZAKMRLC-UHFFFAOYSA-N
MW557.70 g/mol
LogP11.85
Rot. Bonds3

About 5,7-dinaphthalen-1-yl-10-naphthalen-2-ylbenzo[g]isoquinoline

5,7-dinaphthalen-1-yl-10-naphthalen-2-ylbenzo[g]isoquinoline (PubChem CID 59184100) has the molecular formula C43H27N and a molecular weight of 557.70 g/mol. Its IUPAC name is 5,7-dinaphthalen-1-yl-10-naphthalen-2-ylbenzo[g]isoquinoline.

Molecular Properties

Compound Name5,7-dinaphthalen-1-yl-10-naphthalen-2-ylbenzo[g]isoquinoline
PubChem CID59184100
Molecular FormulaC43H27N
Molecular Weight557.70 g/mol
Exact Mass557.21
IUPAC Name5,7-dinaphthalen-1-yl-10-naphthalen-2-ylbenzo[g]isoquinoline
SMILESc1ccc2cc(-c3c4cnccc4c(-c4cccc5ccccc45)c4cc(-c5cccc6ccccc56)ccc34)ccc2c1
InChIInChI=1S/C43H27N/c1-2-12-31-25-33(20-19-28(31)9-1)42-38-22-21-32(36-17-7-13-29-10-3-5-15-34(29)36)26-40(38)43(39-23-24-44-27-41(39)42)37-18-8-14-30-11-4-6-16-35(30)37/h1-27H
InChIKeyBMJLFNFZAKMRLC-UHFFFAOYSA-N
XLogP11.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.70
LogP ≤ 511.85
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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Related Compounds

5-naphthalen-1-yl-10-naphthalen-2-yl-7-[4-(10-phenylanthracen-9-yl)phenyl]benzo[g]isoquinoline
CID 59183229
7-(10-naphthalen-2-ylanthracen-9-yl)-5,10-diphenylbenzo[g]isoquinoline
CID 59182917
2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 58323142
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene
CID 143986124
2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)-9-(3-naphthalen-2-ylphenyl)anthracene
CID 58323030
2-naphthalen-1-yl-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 58322960
9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene
CID 58323614
2-naphthalen-1-yl-10-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene
CID 58322767
9-naphthalen-1-yl-10-[6-(6-naphthalen-1-ylnaphthalen-2-yl)naphthalen-2-yl]anthracene
CID 123515173
3-(2-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)fluoranthene
CID 58323557
9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene
CID 123330330
10-naphthalen-1-yl-9-naphthalen-2-yl-2-(4-phenylphenyl)anthracene
CID 59766348

Frequently Asked Questions

What is the IUPAC name of 5,7-dinaphthalen-1-yl-10-naphthalen-2-ylbenzo[g]isoquinoline?
The IUPAC name of 5,7-dinaphthalen-1-yl-10-naphthalen-2-ylbenzo[g]isoquinoline (CID 59184100) is 5,7-dinaphthalen-1-yl-10-naphthalen-2-ylbenzo[g]isoquinoline.
What is the SMILES notation for 5,7-dinaphthalen-1-yl-10-naphthalen-2-ylbenzo[g]isoquinoline?
The canonical SMILES for 5,7-dinaphthalen-1-yl-10-naphthalen-2-ylbenzo[g]isoquinoline is c1ccc2cc(-c3c4cnccc4c(-c4cccc5ccccc45)c4cc(-c5cccc6ccccc56)ccc34)ccc2c1.
What is the InChIKey of 5,7-dinaphthalen-1-yl-10-naphthalen-2-ylbenzo[g]isoquinoline?
The InChIKey is BMJLFNFZAKMRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N/c1-2-12-31-25-33(20-19-28(31)9-1)42-38-22-21-32(36-17-7-13-29-10-3-5-15-34(29)36)26-40(38)43(39-23-24-44-27-41(39)42)37-18-8-14-30-11-4-6-16-35(30)37/h1-27H.
What are the key properties of 5,7-dinaphthalen-1-yl-10-naphthalen-2-ylbenzo[g]isoquinoline?
5,7-dinaphthalen-1-yl-10-naphthalen-2-ylbenzo[g]isoquinoline has a molecular weight of 557.70 g/mol, XLogP of 11.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dinaphthalen-1-yl-10-naphthalen-2-ylbenzo[g]isoquinoline is sourced from PubChem (CID 59184100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).