2-[4-(1,4,5,8-tetradeuterio-10-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine

C35H23N — CID 176646872

IUPAC2-[4-(1,4,5,8-tetradeuterio-10-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine
SMILES[2H]c1ccc([2H])c2c(-c3cccc4ccccc34)c3c([2H])ccc([2H])c3c(-c3ccc(-c4ccccn4)cc3)c12
InChIInChI=1S/C35H23N/c1-2-12-27-24(10-1)11-9-17-28(27)35-31-15-5-3-13-29(31)34(30-14-4-6-16-32(30)35)26-21-19-25(20-22-26)33-18-7-8-23-36-33/h1-23H/i13D,14D,15D,16D
InChIKeyGUWGVTGAMQAQEY-DNXUXHMQSA-N
MW461.60 g/mol
LogP9.54
Rot. Bonds3

About 2-[4-(1,4,5,8-tetradeuterio-10-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine

2-[4-(1,4,5,8-tetradeuterio-10-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine (PubChem CID 176646872) has the molecular formula C35H23N and a molecular weight of 461.60 g/mol. Its IUPAC name is 2-[4-(1,4,5,8-tetradeuterio-10-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine.

Molecular Properties

Compound Name2-[4-(1,4,5,8-tetradeuterio-10-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine
PubChem CID176646872
Molecular FormulaC35H23N
Molecular Weight461.60 g/mol
Exact Mass461.21
IUPAC Name2-[4-(1,4,5,8-tetradeuterio-10-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine
SMILES[2H]c1ccc([2H])c2c(-c3cccc4ccccc34)c3c([2H])ccc([2H])c3c(-c3ccc(-c4ccccn4)cc3)c12
InChIInChI=1S/C35H23N/c1-2-12-27-24(10-1)11-9-17-28(27)35-31-15-5-3-13-29(31)34(30-14-4-6-16-32(30)35)26-21-19-25(20-22-26)33-18-7-8-23-36-33/h1-23H/i13D,14D,15D,16D
InChIKeyGUWGVTGAMQAQEY-DNXUXHMQSA-N
XLogP9.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.60
LogP ≤ 59.54
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

2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine
CID 118487396
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenylpyridine
CID 121338692
2-(9,10-dinaphthalen-1-ylanthracen-2-yl)-6-pyridin-2-ylpyridine
CID 90361806
1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-1-yl-10-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)anthracene
CID 167406715
5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-2-pyridin-2-ylpyridine
CID 163823578
2-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-[10-(4-pyridin-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 162506961
2,6-dinaphthalen-1-yl-4-(4-pyridin-2-ylphenyl)benzo[h]quinoline
CID 70958773
2-[3-methyl-5-(3-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine
CID 141483257
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 118487428
9-bromo-1,2,3,4,5,6,7,8-octadeuterio-10-(4-naphthalen-1-ylphenyl)anthracene
CID 153473902
1,2,3,4,5,6,7,8-octadeuterio-9-phenanthren-1-yl-10-phenylanthracene
CID 177089183
1,4,5,8-tetradeuterio-9-(4-phenanthren-1-ylphenyl)-10-phenylanthracene
CID 170654170

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,4,5,8-tetradeuterio-10-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine?
The IUPAC name of 2-[4-(1,4,5,8-tetradeuterio-10-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine (CID 176646872) is 2-[4-(1,4,5,8-tetradeuterio-10-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine.
What is the SMILES notation for 2-[4-(1,4,5,8-tetradeuterio-10-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine?
The canonical SMILES for 2-[4-(1,4,5,8-tetradeuterio-10-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine is [2H]c1ccc([2H])c2c(-c3cccc4ccccc34)c3c([2H])ccc([2H])c3c(-c3ccc(-c4ccccn4)cc3)c12.
What is the InChIKey of 2-[4-(1,4,5,8-tetradeuterio-10-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine?
The InChIKey is GUWGVTGAMQAQEY-DNXUXHMQSA-N. The full InChI is InChI=1S/C35H23N/c1-2-12-27-24(10-1)11-9-17-28(27)35-31-15-5-3-13-29(31)34(30-14-4-6-16-32(30)35)26-21-19-25(20-22-26)33-18-7-8-23-36-33/h1-23H/i13D,14D,15D,16D.
What are the key properties of 2-[4-(1,4,5,8-tetradeuterio-10-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine?
2-[4-(1,4,5,8-tetradeuterio-10-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine has a molecular weight of 461.60 g/mol, XLogP of 9.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,4,5,8-tetradeuterio-10-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine is sourced from PubChem (CID 176646872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).