5,10-di(quinolin-2-yl)benzo[g]isoquinoline

C31H19N3 — CID 59183077

IUPAC5,10-di(quinolin-2-yl)benzo[g]isoquinoline
SMILESc1ccc2nc(-c3c4ccccc4c(-c4ccc5ccccc5n4)c4cnccc34)ccc2c1
InChIInChI=1S/C31H19N3/c1-5-11-26-20(7-1)13-15-28(33-26)30-22-9-3-4-10-23(22)31(25-19-32-18-17-24(25)30)29-16-14-21-8-2-6-12-27(21)34-29/h1-19H
InChIKeyGVJXJPGMAPEUHE-UHFFFAOYSA-N
MW433.51 g/mol
LogP7.82
Rot. Bonds2

About 5,10-di(quinolin-2-yl)benzo[g]isoquinoline

5,10-di(quinolin-2-yl)benzo[g]isoquinoline (PubChem CID 59183077) has the molecular formula C31H19N3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 5,10-di(quinolin-2-yl)benzo[g]isoquinoline.

Molecular Properties

Compound Name5,10-di(quinolin-2-yl)benzo[g]isoquinoline
PubChem CID59183077
Molecular FormulaC31H19N3
Molecular Weight433.51 g/mol
Exact Mass433.16
IUPAC Name5,10-di(quinolin-2-yl)benzo[g]isoquinoline
SMILESc1ccc2nc(-c3c4ccccc4c(-c4ccc5ccccc5n4)c4cnccc34)ccc2c1
InChIInChI=1S/C31H19N3/c1-5-11-26-20(7-1)13-15-28(33-26)30-22-9-3-4-10-23(22)31(25-19-32-18-17-24(25)30)29-16-14-21-8-2-6-12-27(21)34-29/h1-19H
InChIKeyGVJXJPGMAPEUHE-UHFFFAOYSA-N
XLogP7.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

11-(3-quinolin-2-ylphenyl)phenanthro[9,10-c]pyridine
CID 59575326
4-quinolin-2-yl-8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 168746306
2-[3-benzo[g]quinolin-2-yl-5-(10-quinolin-2-ylanthracen-9-yl)phenyl]benzo[g]quinoline
CID 139364165
5-quinolin-2-yl-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 168746572
10-isoquinolin-3-yl-5-phenylbenzo[g]isoquinoline
CID 59183169
2-[10-[7-(2-isoquinolin-8-ylquinolin-7-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[4-[7-(2-isoquinolin-8-ylquinolin-7-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 165012040
5,10-bis[4-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline
CID 59183593
10-(4-naphthalen-2-ylphenyl)-5-phenylbenzo[g]isoquinoline
CID 59183268
5,10-bis(2,6-diphenyl-4-pyridinyl)benzo[g]isoquinoline
CID 59183810
5-naphthalen-2-yl-10-(4-propan-2-ylphenyl)benzo[g]isoquinoline
CID 59183792
5-naphthalen-2-yl-10-[3-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline
CID 59183021
7-phenyl-2-[10-(4-quinolin-2-ylphenyl)anthracen-9-yl]benzo[b][1,10]phenanthroline
CID 134559323

Frequently Asked Questions

What is the IUPAC name of 5,10-di(quinolin-2-yl)benzo[g]isoquinoline?
The IUPAC name of 5,10-di(quinolin-2-yl)benzo[g]isoquinoline (CID 59183077) is 5,10-di(quinolin-2-yl)benzo[g]isoquinoline.
What is the SMILES notation for 5,10-di(quinolin-2-yl)benzo[g]isoquinoline?
The canonical SMILES for 5,10-di(quinolin-2-yl)benzo[g]isoquinoline is c1ccc2nc(-c3c4ccccc4c(-c4ccc5ccccc5n4)c4cnccc34)ccc2c1.
What is the InChIKey of 5,10-di(quinolin-2-yl)benzo[g]isoquinoline?
The InChIKey is GVJXJPGMAPEUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N3/c1-5-11-26-20(7-1)13-15-28(33-26)30-22-9-3-4-10-23(22)31(25-19-32-18-17-24(25)30)29-16-14-21-8-2-6-12-27(21)34-29/h1-19H.
What are the key properties of 5,10-di(quinolin-2-yl)benzo[g]isoquinoline?
5,10-di(quinolin-2-yl)benzo[g]isoquinoline has a molecular weight of 433.51 g/mol, XLogP of 7.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-di(quinolin-2-yl)benzo[g]isoquinoline is sourced from PubChem (CID 59183077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).