7-(10-naphthalen-2-ylanthracen-9-yl)-5,10-diphenylbenzo[g]isoquinoline

C49H31N — CID 59182917

IUPAC7-(10-naphthalen-2-ylanthracen-9-yl)-5,10-diphenylbenzo[g]isoquinoline
SMILESc1ccc(-c2c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3c(-c3ccccc3)c3ccncc23)cc1
InChIInChI=1S/C49H31N/c1-3-14-33(15-4-1)46-43-27-28-50-31-45(43)47(34-16-5-2-6-17-34)42-26-25-37(30-44(42)46)49-40-21-11-9-19-38(40)48(39-20-10-12-22-41(39)49)36-24-23-32-13-7-8-18-35(32)29-36/h1-31H
InChIKeyAMCWQWFVZXQVCQ-UHFFFAOYSA-N
MW633.79 g/mol
LogP13.52
Rot. Bonds4

About 7-(10-naphthalen-2-ylanthracen-9-yl)-5,10-diphenylbenzo[g]isoquinoline

7-(10-naphthalen-2-ylanthracen-9-yl)-5,10-diphenylbenzo[g]isoquinoline (PubChem CID 59182917) has the molecular formula C49H31N and a molecular weight of 633.79 g/mol. Its IUPAC name is 7-(10-naphthalen-2-ylanthracen-9-yl)-5,10-diphenylbenzo[g]isoquinoline.

Molecular Properties

Compound Name7-(10-naphthalen-2-ylanthracen-9-yl)-5,10-diphenylbenzo[g]isoquinoline
PubChem CID59182917
Molecular FormulaC49H31N
Molecular Weight633.79 g/mol
Exact Mass633.25
IUPAC Name7-(10-naphthalen-2-ylanthracen-9-yl)-5,10-diphenylbenzo[g]isoquinoline
SMILESc1ccc(-c2c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3c(-c3ccccc3)c3ccncc23)cc1
InChIInChI=1S/C49H31N/c1-3-14-33(15-4-1)46-43-27-28-50-31-45(43)47(34-16-5-2-6-17-34)42-26-25-37(30-44(42)46)49-40-21-11-9-19-38(40)48(39-20-10-12-22-41(39)49)36-24-23-32-13-7-8-18-35(32)29-36/h1-31H
InChIKeyAMCWQWFVZXQVCQ-UHFFFAOYSA-N
XLogP13.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.79
LogP ≤ 513.52
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

7-naphthalen-2-yl-5,10-bis(4-phenylphenyl)benzo[g]isoquinoline
CID 59183030
5-naphthalen-2-yl-10-[3-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline
CID 59183021
10-(4-naphthalen-2-ylphenyl)-5-phenylbenzo[g]isoquinoline
CID 59183268
5-naphthalen-1-yl-10-naphthalen-2-yl-7-[4-(10-phenylanthracen-9-yl)phenyl]benzo[g]isoquinoline
CID 59183229
3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine
CID 90361582
3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine
CID 58963342
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine
CID 58592230
5,7-dinaphthalen-1-yl-10-naphthalen-2-ylbenzo[g]isoquinoline
CID 59184100
5-naphthalen-2-yl-10-(4-propan-2-ylphenyl)benzo[g]isoquinoline
CID 59183792
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
5,10-bis[4-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline
CID 59183593
5,10-di(triphenylen-2-yl)benzo[g]isoquinoline
CID 59183594

Frequently Asked Questions

What is the IUPAC name of 7-(10-naphthalen-2-ylanthracen-9-yl)-5,10-diphenylbenzo[g]isoquinoline?
The IUPAC name of 7-(10-naphthalen-2-ylanthracen-9-yl)-5,10-diphenylbenzo[g]isoquinoline (CID 59182917) is 7-(10-naphthalen-2-ylanthracen-9-yl)-5,10-diphenylbenzo[g]isoquinoline.
What is the SMILES notation for 7-(10-naphthalen-2-ylanthracen-9-yl)-5,10-diphenylbenzo[g]isoquinoline?
The canonical SMILES for 7-(10-naphthalen-2-ylanthracen-9-yl)-5,10-diphenylbenzo[g]isoquinoline is c1ccc(-c2c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3c(-c3ccccc3)c3ccncc23)cc1.
What is the InChIKey of 7-(10-naphthalen-2-ylanthracen-9-yl)-5,10-diphenylbenzo[g]isoquinoline?
The InChIKey is AMCWQWFVZXQVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N/c1-3-14-33(15-4-1)46-43-27-28-50-31-45(43)47(34-16-5-2-6-17-34)42-26-25-37(30-44(42)46)49-40-21-11-9-19-38(40)48(39-20-10-12-22-41(39)49)36-24-23-32-13-7-8-18-35(32)29-36/h1-31H.
What are the key properties of 7-(10-naphthalen-2-ylanthracen-9-yl)-5,10-diphenylbenzo[g]isoquinoline?
7-(10-naphthalen-2-ylanthracen-9-yl)-5,10-diphenylbenzo[g]isoquinoline has a molecular weight of 633.79 g/mol, XLogP of 13.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(10-naphthalen-2-ylanthracen-9-yl)-5,10-diphenylbenzo[g]isoquinoline is sourced from PubChem (CID 59182917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).