2-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]-6-pyridin-3-ylpyridine

C40H26N2 — CID 118563958

IUPAC2-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]-6-pyridin-3-ylpyridine
SMILESc1ccc(-c2c3ccccc3c(-c3cc(-c4cccc(-c5cccnc5)n4)c4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C40H26N2/c1-2-12-27(13-3-1)39-32-17-6-8-19-34(32)40(35-20-9-7-18-33(35)39)30-24-28-14-4-5-16-31(28)36(25-30)38-22-10-21-37(42-38)29-15-11-23-41-26-29/h1-26H
InChIKeyYAPSTNQPEKQCSR-UHFFFAOYSA-N
MW534.66 g/mol
LogP10.60
Rot. Bonds4

About 2-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]-6-pyridin-3-ylpyridine

2-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]-6-pyridin-3-ylpyridine (PubChem CID 118563958) has the molecular formula C40H26N2 and a molecular weight of 534.66 g/mol. Its IUPAC name is 2-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]-6-pyridin-3-ylpyridine.

Molecular Properties

Compound Name2-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]-6-pyridin-3-ylpyridine
PubChem CID118563958
Molecular FormulaC40H26N2
Molecular Weight534.66 g/mol
Exact Mass534.21
IUPAC Name2-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]-6-pyridin-3-ylpyridine
SMILESc1ccc(-c2c3ccccc3c(-c3cc(-c4cccc(-c5cccnc5)n4)c4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C40H26N2/c1-2-12-27(13-3-1)39-32-17-6-8-19-34(32)40(35-20-9-7-18-33(35)39)30-24-28-14-4-5-16-31(28)36(25-30)38-22-10-21-37(42-38)29-15-11-23-41-26-29/h1-26H
InChIKeyYAPSTNQPEKQCSR-UHFFFAOYSA-N
XLogP10.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 510.60
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

2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-pyridin-3-ylpyridine
CID 89001174
3-[4-[10-(3-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine
CID 118564006
2,6-dipyridin-3-ylpyridine
CID 13349632
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenylpyridine
CID 121338692
8-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]quinoline
CID 146665542
2,4-diphenyl-6-[3-(4-pyridin-3-ylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 118952098
2-naphthalen-1-yl-6-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]pyridine
CID 88914352
2-pyridin-3-yl-6-[3-[3-[3-(6-pyridin-3-yl-2-pyridinyl)phenyl]-5-triphenylen-2-ylphenyl]phenyl]pyridine
CID 164785689
3-[8,13-bis(4-naphthalen-1-ylphenyl)benzo[a]tetracen-6-yl]pyridine
CID 89177965
2,4-diphenyl-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine
CID 165168371
2-[3,5-bis[6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyridine
CID 58090487
2,4-diphenyl-6-[3-[3-(3-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 165168264

Frequently Asked Questions

What is the IUPAC name of 2-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]-6-pyridin-3-ylpyridine?
The IUPAC name of 2-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]-6-pyridin-3-ylpyridine (CID 118563958) is 2-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]-6-pyridin-3-ylpyridine.
What is the SMILES notation for 2-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]-6-pyridin-3-ylpyridine?
The canonical SMILES for 2-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]-6-pyridin-3-ylpyridine is c1ccc(-c2c3ccccc3c(-c3cc(-c4cccc(-c5cccnc5)n4)c4ccccc4c3)c3ccccc23)cc1.
What is the InChIKey of 2-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]-6-pyridin-3-ylpyridine?
The InChIKey is YAPSTNQPEKQCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2/c1-2-12-27(13-3-1)39-32-17-6-8-19-34(32)40(35-20-9-7-18-33(35)39)30-24-28-14-4-5-16-31(28)36(25-30)38-22-10-21-37(42-38)29-15-11-23-41-26-29/h1-26H.
What are the key properties of 2-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]-6-pyridin-3-ylpyridine?
2-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]-6-pyridin-3-ylpyridine has a molecular weight of 534.66 g/mol, XLogP of 10.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]-6-pyridin-3-ylpyridine is sourced from PubChem (CID 118563958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).