10-isoquinolin-3-yl-5-phenylbenzo[g]isoquinoline

C28H18N2 — CID 59183169

IUPAC10-isoquinolin-3-yl-5-phenylbenzo[g]isoquinoline
SMILESc1ccc(-c2c3ccccc3c(-c3cc4ccccc4cn3)c3cnccc23)cc1
InChIInChI=1S/C28H18N2/c1-2-8-19(9-3-1)27-22-12-6-7-13-23(22)28(25-18-29-15-14-24(25)27)26-16-20-10-4-5-11-21(20)17-30-26/h1-18H
InChIKeyXMMITUPREJZWNI-UHFFFAOYSA-N
MW382.47 g/mol
LogP7.27
Rot. Bonds2

About 10-isoquinolin-3-yl-5-phenylbenzo[g]isoquinoline

10-isoquinolin-3-yl-5-phenylbenzo[g]isoquinoline (PubChem CID 59183169) has the molecular formula C28H18N2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 10-isoquinolin-3-yl-5-phenylbenzo[g]isoquinoline.

Molecular Properties

Compound Name10-isoquinolin-3-yl-5-phenylbenzo[g]isoquinoline
PubChem CID59183169
Molecular FormulaC28H18N2
Molecular Weight382.47 g/mol
Exact Mass382.15
IUPAC Name10-isoquinolin-3-yl-5-phenylbenzo[g]isoquinoline
SMILESc1ccc(-c2c3ccccc3c(-c3cc4ccccc4cn3)c3cnccc23)cc1
InChIInChI=1S/C28H18N2/c1-2-8-19(9-3-1)27-22-12-6-7-13-23(22)28(25-18-29-15-14-24(25)27)26-16-20-10-4-5-11-21(20)17-30-26/h1-18H
InChIKeyXMMITUPREJZWNI-UHFFFAOYSA-N
XLogP7.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-(4-naphthalen-2-ylphenyl)-5-phenylbenzo[g]isoquinoline
CID 59183268
5,10-bis[4-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline
CID 59183593
5-naphthalen-2-yl-10-[3-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline
CID 59183021
5,10-bis(2,6-diphenyl-4-pyridinyl)benzo[g]isoquinoline
CID 59183810
7-(10-naphthalen-2-ylanthracen-9-yl)-5,10-diphenylbenzo[g]isoquinoline
CID 59182917
3-[4-[10-(3-phenyl-4-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]isoquinoline
CID 118563946
7-naphthalen-2-yl-5,10-bis(4-phenylphenyl)benzo[g]isoquinoline
CID 59183030
9-[10-(4-methoxyphenyl)anthracen-9-yl]-2,8-phenanthroline
CID 129061010
5-naphthalen-2-yl-10-(4-propan-2-ylphenyl)benzo[g]isoquinoline
CID 59183792
3-azulen-2-ylisoquinoline
CID 139326489
5-naphthalen-1-yl-10-naphthalen-2-yl-7-[4-(10-phenylanthracen-9-yl)phenyl]benzo[g]isoquinoline
CID 59183229
5,10-di(triphenylen-2-yl)benzo[g]isoquinoline
CID 59183594

Frequently Asked Questions

What is the IUPAC name of 10-isoquinolin-3-yl-5-phenylbenzo[g]isoquinoline?
The IUPAC name of 10-isoquinolin-3-yl-5-phenylbenzo[g]isoquinoline (CID 59183169) is 10-isoquinolin-3-yl-5-phenylbenzo[g]isoquinoline.
What is the SMILES notation for 10-isoquinolin-3-yl-5-phenylbenzo[g]isoquinoline?
The canonical SMILES for 10-isoquinolin-3-yl-5-phenylbenzo[g]isoquinoline is c1ccc(-c2c3ccccc3c(-c3cc4ccccc4cn3)c3cnccc23)cc1.
What is the InChIKey of 10-isoquinolin-3-yl-5-phenylbenzo[g]isoquinoline?
The InChIKey is XMMITUPREJZWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2/c1-2-8-19(9-3-1)27-22-12-6-7-13-23(22)28(25-18-29-15-14-24(25)27)26-16-20-10-4-5-11-21(20)17-30-26/h1-18H.
What are the key properties of 10-isoquinolin-3-yl-5-phenylbenzo[g]isoquinoline?
10-isoquinolin-3-yl-5-phenylbenzo[g]isoquinoline has a molecular weight of 382.47 g/mol, XLogP of 7.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-isoquinolin-3-yl-5-phenylbenzo[g]isoquinoline is sourced from PubChem (CID 59183169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).