7-naphthalen-2-yl-5,10-bis(4-phenylphenyl)benzo[g]isoquinoline

C47H31N — CID 59183030

IUPAC7-naphthalen-2-yl-5,10-bis(4-phenylphenyl)benzo[g]isoquinoline
SMILESc1ccc(-c2ccc(-c3c4ccc(-c5ccc6ccccc6c5)cc4c(-c4ccc(-c5ccccc5)cc4)c4ccncc34)cc2)cc1
InChIInChI=1S/C47H31N/c1-3-9-32(10-4-1)35-15-20-37(21-16-35)46-43-27-28-48-31-45(43)47(38-22-17-36(18-23-38)33-11-5-2-6-12-33)42-26-25-41(30-44(42)46)40-24-19-34-13-7-8-14-39(34)29-40/h1-31H
InChIKeyPEPOUKQRAHKKPV-UHFFFAOYSA-N
MW609.77 g/mol
LogP12.88
Rot. Bonds5

About 7-naphthalen-2-yl-5,10-bis(4-phenylphenyl)benzo[g]isoquinoline

7-naphthalen-2-yl-5,10-bis(4-phenylphenyl)benzo[g]isoquinoline (PubChem CID 59183030) has the molecular formula C47H31N and a molecular weight of 609.77 g/mol. Its IUPAC name is 7-naphthalen-2-yl-5,10-bis(4-phenylphenyl)benzo[g]isoquinoline.

Molecular Properties

Compound Name7-naphthalen-2-yl-5,10-bis(4-phenylphenyl)benzo[g]isoquinoline
PubChem CID59183030
Molecular FormulaC47H31N
Molecular Weight609.77 g/mol
Exact Mass609.25
IUPAC Name7-naphthalen-2-yl-5,10-bis(4-phenylphenyl)benzo[g]isoquinoline
SMILESc1ccc(-c2ccc(-c3c4ccc(-c5ccc6ccccc6c5)cc4c(-c4ccc(-c5ccccc5)cc4)c4ccncc34)cc2)cc1
InChIInChI=1S/C47H31N/c1-3-9-32(10-4-1)35-15-20-37(21-16-35)46-43-27-28-48-31-45(43)47(38-22-17-36(18-23-38)33-11-5-2-6-12-33)42-26-25-41(30-44(42)46)40-24-19-34-13-7-8-14-39(34)29-40/h1-31H
InChIKeyPEPOUKQRAHKKPV-UHFFFAOYSA-N
XLogP12.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.77
LogP ≤ 512.88
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-(10-naphthalen-2-ylanthracen-9-yl)-5,10-diphenylbenzo[g]isoquinoline
CID 59182917
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
5-naphthalen-2-yl-10-[3-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline
CID 59183021
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692
3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine
CID 58963342
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine
CID 58592230
5-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-yl-7-(4-phenylphenyl)benzo[g]isoquinoline
CID 59183787

Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-2-yl-5,10-bis(4-phenylphenyl)benzo[g]isoquinoline?
The IUPAC name of 7-naphthalen-2-yl-5,10-bis(4-phenylphenyl)benzo[g]isoquinoline (CID 59183030) is 7-naphthalen-2-yl-5,10-bis(4-phenylphenyl)benzo[g]isoquinoline.
What is the SMILES notation for 7-naphthalen-2-yl-5,10-bis(4-phenylphenyl)benzo[g]isoquinoline?
The canonical SMILES for 7-naphthalen-2-yl-5,10-bis(4-phenylphenyl)benzo[g]isoquinoline is c1ccc(-c2ccc(-c3c4ccc(-c5ccc6ccccc6c5)cc4c(-c4ccc(-c5ccccc5)cc4)c4ccncc34)cc2)cc1.
What is the InChIKey of 7-naphthalen-2-yl-5,10-bis(4-phenylphenyl)benzo[g]isoquinoline?
The InChIKey is PEPOUKQRAHKKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N/c1-3-9-32(10-4-1)35-15-20-37(21-16-35)46-43-27-28-48-31-45(43)47(38-22-17-36(18-23-38)33-11-5-2-6-12-33)42-26-25-41(30-44(42)46)40-24-19-34-13-7-8-14-39(34)29-40/h1-31H.
What are the key properties of 7-naphthalen-2-yl-5,10-bis(4-phenylphenyl)benzo[g]isoquinoline?
7-naphthalen-2-yl-5,10-bis(4-phenylphenyl)benzo[g]isoquinoline has a molecular weight of 609.77 g/mol, XLogP of 12.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-2-yl-5,10-bis(4-phenylphenyl)benzo[g]isoquinoline is sourced from PubChem (CID 59183030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).