5,10-bis(2,6-diphenyl-4-pyridinyl)benzo[g]isoquinoline

C47H31N3 — CID 59183810

IUPAC5,10-bis(2,6-diphenyl-4-pyridinyl)benzo[g]isoquinoline
SMILESc1ccc(-c2cc(-c3c4ccccc4c(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c4cnccc34)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H31N3/c1-5-15-32(16-6-1)42-27-36(28-43(49-42)33-17-7-2-8-18-33)46-38-23-13-14-24-39(38)47(41-31-48-26-25-40(41)46)37-29-44(34-19-9-3-10-20-34)50-45(30-37)35-21-11-4-12-22-35/h1-31H
InChIKeySPCFXYPSLSNUGB-UHFFFAOYSA-N
MW637.79 g/mol
LogP12.18
Rot. Bonds6

About 5,10-bis(2,6-diphenyl-4-pyridinyl)benzo[g]isoquinoline

5,10-bis(2,6-diphenyl-4-pyridinyl)benzo[g]isoquinoline (PubChem CID 59183810) has the molecular formula C47H31N3 and a molecular weight of 637.79 g/mol. Its IUPAC name is 5,10-bis(2,6-diphenyl-4-pyridinyl)benzo[g]isoquinoline.

Molecular Properties

Compound Name5,10-bis(2,6-diphenyl-4-pyridinyl)benzo[g]isoquinoline
PubChem CID59183810
Molecular FormulaC47H31N3
Molecular Weight637.79 g/mol
Exact Mass637.25
IUPAC Name5,10-bis(2,6-diphenyl-4-pyridinyl)benzo[g]isoquinoline
SMILESc1ccc(-c2cc(-c3c4ccccc4c(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c4cnccc34)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H31N3/c1-5-15-32(16-6-1)42-27-36(28-43(49-42)33-17-7-2-8-18-33)46-38-23-13-14-24-39(38)47(41-31-48-26-25-40(41)46)37-29-44(34-19-9-3-10-20-34)50-45(30-37)35-21-11-4-12-22-35/h1-31H
InChIKeySPCFXYPSLSNUGB-UHFFFAOYSA-N
XLogP12.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.79
LogP ≤ 512.18
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

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-naphthalen-2-yl-10-[3-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline
CID 59183021
5,10-di(triphenylen-2-yl)benzo[g]isoquinoline
CID 59183594
7-(10-naphthalen-2-ylanthracen-9-yl)-5,10-diphenylbenzo[g]isoquinoline
CID 59182917
10-isoquinolin-3-yl-5-phenylbenzo[g]isoquinoline
CID 59183169
2,4-diphenyl-6-pyridin-3-ylpyridine
CID 3477432
4-(3,5-dipyridin-3-ylphenyl)-2,6-diphenylpyridine
CID 58518535
7-naphthalen-2-yl-5,10-bis(4-phenylphenyl)benzo[g]isoquinoline
CID 59183030
5,10-bis(3,4-dimethylphenyl)benzo[g]isoquinoline
CID 59183666
2,4-diphenyl-6-(3-pyridin-3-yl-5-pyridin-4-ylphenyl)pyridine
CID 118582495
4,6-diphenyl-2-(4-pyridin-3-ylphenyl)benzo[h]quinoline;4,6-diphenyl-2-(4-pyridin-4-ylphenyl)benzo[h]quinoline
CID 159526499

Frequently Asked Questions

What is the IUPAC name of 5,10-bis(2,6-diphenyl-4-pyridinyl)benzo[g]isoquinoline?
The IUPAC name of 5,10-bis(2,6-diphenyl-4-pyridinyl)benzo[g]isoquinoline (CID 59183810) is 5,10-bis(2,6-diphenyl-4-pyridinyl)benzo[g]isoquinoline.
What is the SMILES notation for 5,10-bis(2,6-diphenyl-4-pyridinyl)benzo[g]isoquinoline?
The canonical SMILES for 5,10-bis(2,6-diphenyl-4-pyridinyl)benzo[g]isoquinoline is c1ccc(-c2cc(-c3c4ccccc4c(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c4cnccc34)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 5,10-bis(2,6-diphenyl-4-pyridinyl)benzo[g]isoquinoline?
The InChIKey is SPCFXYPSLSNUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3/c1-5-15-32(16-6-1)42-27-36(28-43(49-42)33-17-7-2-8-18-33)46-38-23-13-14-24-39(38)47(41-31-48-26-25-40(41)46)37-29-44(34-19-9-3-10-20-34)50-45(30-37)35-21-11-4-12-22-35/h1-31H.
What are the key properties of 5,10-bis(2,6-diphenyl-4-pyridinyl)benzo[g]isoquinoline?
5,10-bis(2,6-diphenyl-4-pyridinyl)benzo[g]isoquinoline has a molecular weight of 637.79 g/mol, XLogP of 12.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-bis(2,6-diphenyl-4-pyridinyl)benzo[g]isoquinoline is sourced from PubChem (CID 59183810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).