3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]pyridine

C39H25N — CID 88551707

IUPAC3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]pyridine
SMILESc1cncc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c3ccccc23)c1
InChIInChI=1S/C39H25N/c1-2-11-27-24-28(20-19-26(27)10-1)38-33-15-5-7-17-35(33)39(36-18-8-6-16-34(36)38)37-22-21-30(29-12-9-23-40-25-29)31-13-3-4-14-32(31)37/h1-25H
InChIKeyDPYZYDDLSLNYLJ-UHFFFAOYSA-N
MW507.64 g/mol
LogP10.70
Rot. Bonds3

About 3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]pyridine

3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]pyridine (PubChem CID 88551707) has the molecular formula C39H25N and a molecular weight of 507.64 g/mol. Its IUPAC name is 3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]pyridine.

Molecular Properties

Compound Name3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]pyridine
PubChem CID88551707
Molecular FormulaC39H25N
Molecular Weight507.64 g/mol
Exact Mass507.20
IUPAC Name3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]pyridine
SMILESc1cncc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c3ccccc23)c1
InChIInChI=1S/C39H25N/c1-2-11-27-24-28(20-19-26(27)10-1)38-33-15-5-7-17-35(33)39(36-18-8-6-16-34(36)38)37-22-21-30(29-12-9-23-40-25-29)31-13-3-4-14-32(31)37/h1-25H
InChIKeyDPYZYDDLSLNYLJ-UHFFFAOYSA-N
XLogP10.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.64
LogP ≤ 510.70
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

3-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine
CID 88552191
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine
CID 58592230
3-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-pyridin-3-ylpyridine
CID 88554356
3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine
CID 58963342
9-(4-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
CID 123218552
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-pyridin-3-ylpyridine
CID 89001174
3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine
CID 90361582
9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene
CID 59523734
5,7-dinaphthalen-1-yl-10-naphthalen-2-ylbenzo[g]isoquinoline
CID 59184100
methanol;8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-phenylpyrido[4,3-b]indole
CID 159089156
3-[4-[10-(3-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine
CID 118564006
5-naphthalen-2-yl-10-[3-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline
CID 59183021

Frequently Asked Questions

What is the IUPAC name of 3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]pyridine?
The IUPAC name of 3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]pyridine (CID 88551707) is 3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]pyridine.
What is the SMILES notation for 3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]pyridine?
The canonical SMILES for 3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]pyridine is c1cncc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c3ccccc23)c1.
What is the InChIKey of 3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]pyridine?
The InChIKey is DPYZYDDLSLNYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N/c1-2-11-27-24-28(20-19-26(27)10-1)38-33-15-5-7-17-35(33)39(36-18-8-6-16-34(36)38)37-22-21-30(29-12-9-23-40-25-29)31-13-3-4-14-32(31)37/h1-25H.
What are the key properties of 3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]pyridine?
3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]pyridine has a molecular weight of 507.64 g/mol, XLogP of 10.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]pyridine is sourced from PubChem (CID 88551707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).