3-[4-[10-(3-phenyl-4-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]isoquinoline

C50H32N2 — CID 118563946

IUPAC3-[4-[10-(3-phenyl-4-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]isoquinoline
SMILESc1ccc(-c2cc(-c3c4ccccc4c(-c4ccc(-c5cc6ccccc6cn5)cc4)c4ccccc34)c3ccccc3c2-c2cccnc2)cc1
InChIInChI=1S/C50H32N2/c1-2-13-33(14-3-1)45-30-46(39-18-6-7-19-40(39)49(45)38-17-12-28-51-31-38)50-43-22-10-8-20-41(43)48(42-21-9-11-23-44(42)50)35-26-24-34(25-27-35)47-29-36-15-4-5-16-37(36)32-52-47/h1-32H
InChIKeyYAAFYYSEZLZLBW-UHFFFAOYSA-N
MW660.82 g/mol
LogP13.42
Rot. Bonds5

About 3-[4-[10-(3-phenyl-4-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]isoquinoline

3-[4-[10-(3-phenyl-4-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]isoquinoline (PubChem CID 118563946) has the molecular formula C50H32N2 and a molecular weight of 660.82 g/mol. Its IUPAC name is 3-[4-[10-(3-phenyl-4-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]isoquinoline.

Molecular Properties

Compound Name3-[4-[10-(3-phenyl-4-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]isoquinoline
PubChem CID118563946
Molecular FormulaC50H32N2
Molecular Weight660.82 g/mol
Exact Mass660.26
IUPAC Name3-[4-[10-(3-phenyl-4-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]isoquinoline
SMILESc1ccc(-c2cc(-c3c4ccccc4c(-c4ccc(-c5cc6ccccc6cn5)cc4)c4ccccc34)c3ccccc3c2-c2cccnc2)cc1
InChIInChI=1S/C50H32N2/c1-2-13-33(14-3-1)45-30-46(39-18-6-7-19-40(39)49(45)38-17-12-28-51-31-38)50-43-22-10-8-20-41(43)48(42-21-9-11-23-44(42)50)35-26-24-34(25-27-35)47-29-36-15-4-5-16-37(36)32-52-47/h1-32H
InChIKeyYAAFYYSEZLZLBW-UHFFFAOYSA-N
XLogP13.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.82
LogP ≤ 513.42
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-isoquinolin-3-yl-5-phenylbenzo[g]isoquinoline
CID 59183169
3-[4-[10-(3-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine
CID 118564006
2-[9,10-di(phenanthren-9-yl)anthracen-2-yl]-5-pyridin-3-ylpyridine
CID 90361500
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-pyridin-3-ylpyridine
CID 89001174
4,7-bis(4-isoquinolin-3-ylphenyl)-2-phenyl-1,10-phenanthroline
CID 144839385
3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]pyridine
CID 88551707
9-[4-[10-(4-isoquinolin-3-ylphenyl)anthracen-9-yl]phenyl]carbazole
CID 90249684
3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine
CID 58963342
2-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]-6-pyridin-3-ylpyridine
CID 118563958
3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine
CID 90361582
2-[3-(10-phenylanthracen-9-yl)phenyl]-4-(4-pyridin-3-ylphenyl)pyrimidine
CID 129084345
3-phenyl-4-pyridin-3-ylisoquinoline
CID 11832880

Frequently Asked Questions

What is the IUPAC name of 3-[4-[10-(3-phenyl-4-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]isoquinoline?
The IUPAC name of 3-[4-[10-(3-phenyl-4-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]isoquinoline (CID 118563946) is 3-[4-[10-(3-phenyl-4-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]isoquinoline.
What is the SMILES notation for 3-[4-[10-(3-phenyl-4-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]isoquinoline?
The canonical SMILES for 3-[4-[10-(3-phenyl-4-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]isoquinoline is c1ccc(-c2cc(-c3c4ccccc4c(-c4ccc(-c5cc6ccccc6cn5)cc4)c4ccccc34)c3ccccc3c2-c2cccnc2)cc1.
What is the InChIKey of 3-[4-[10-(3-phenyl-4-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]isoquinoline?
The InChIKey is YAAFYYSEZLZLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2/c1-2-13-33(14-3-1)45-30-46(39-18-6-7-19-40(39)49(45)38-17-12-28-51-31-38)50-43-22-10-8-20-41(43)48(42-21-9-11-23-44(42)50)35-26-24-34(25-27-35)47-29-36-15-4-5-16-37(36)32-52-47/h1-32H.
What are the key properties of 3-[4-[10-(3-phenyl-4-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]isoquinoline?
3-[4-[10-(3-phenyl-4-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]isoquinoline has a molecular weight of 660.82 g/mol, XLogP of 13.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[10-(3-phenyl-4-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]isoquinoline is sourced from PubChem (CID 118563946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).