3-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-pyridin-3-ylpyridine

C41H28N2 — CID 88554356

IUPAC3-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-pyridin-3-ylpyridine
SMILESCc1cc(-c2cncc(-c3cccnc3)c2)ccc1-c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccccc12
InChIInChI=1S/C41H28N2/c1-27-21-30(33-23-34(26-43-25-33)32-11-8-20-42-24-32)18-19-35(27)41-38-14-6-4-12-36(38)40(37-13-5-7-15-39(37)41)31-17-16-28-9-2-3-10-29(28)22-31/h2-26H,1H3
InChIKeyRDHLWBHIICNVKE-UHFFFAOYSA-N
MW548.69 g/mol
LogP10.91
Rot. Bonds4

About 3-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-pyridin-3-ylpyridine

3-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-pyridin-3-ylpyridine (PubChem CID 88554356) has the molecular formula C41H28N2 and a molecular weight of 548.69 g/mol. Its IUPAC name is 3-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-pyridin-3-ylpyridine.

Molecular Properties

Compound Name3-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-pyridin-3-ylpyridine
PubChem CID88554356
Molecular FormulaC41H28N2
Molecular Weight548.69 g/mol
Exact Mass548.23
IUPAC Name3-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-pyridin-3-ylpyridine
SMILESCc1cc(-c2cncc(-c3cccnc3)c2)ccc1-c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccccc12
InChIInChI=1S/C41H28N2/c1-27-21-30(33-23-34(26-43-25-33)32-11-8-20-42-24-32)18-19-35(27)41-38-14-6-4-12-36(38)40(37-13-5-7-15-39(37)41)31-17-16-28-9-2-3-10-29(28)22-31/h2-26H,1H3
InChIKeyRDHLWBHIICNVKE-UHFFFAOYSA-N
XLogP10.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 510.91
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

3-[6-[10-(3-methylphenyl)anthracen-9-yl]naphthalen-2-yl]-5-pyridin-3-ylpyridine
CID 88554456
3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]pyridine
CID 88551707
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine
CID 58592230
3-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine
CID 88552191
9-[3-[3-methyl-4-(3-methylnaphthalen-2-yl)phenyl]phenyl]-10-(4-naphthalen-2-ylphenyl)anthracene
CID 144703489
3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine
CID 90361582
3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine
CID 58963342
5-[3-[10-(7-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-2-pyridin-3-ylpyridine
CID 88554768
3-methyl-5-[4-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]pyridine;3-methyl-5-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine;4-methyl-3-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 157188872
2-methyl-4-[5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridinyl]pyridine
CID 88554596
4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 89001182
methane;9-naphthalen-2-yl-10-[3-(2,4,6-trimethylphenyl)phenyl]anthracene
CID 143043876

Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-pyridin-3-ylpyridine?
The IUPAC name of 3-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-pyridin-3-ylpyridine (CID 88554356) is 3-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-pyridin-3-ylpyridine.
What is the SMILES notation for 3-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-pyridin-3-ylpyridine?
The canonical SMILES for 3-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-pyridin-3-ylpyridine is Cc1cc(-c2cncc(-c3cccnc3)c2)ccc1-c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccccc12.
What is the InChIKey of 3-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-pyridin-3-ylpyridine?
The InChIKey is RDHLWBHIICNVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2/c1-27-21-30(33-23-34(26-43-25-33)32-11-8-20-42-24-32)18-19-35(27)41-38-14-6-4-12-36(38)40(37-13-5-7-15-39(37)41)31-17-16-28-9-2-3-10-29(28)22-31/h2-26H,1H3.
What are the key properties of 3-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-pyridin-3-ylpyridine?
3-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-pyridin-3-ylpyridine has a molecular weight of 548.69 g/mol, XLogP of 10.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-pyridin-3-ylpyridine is sourced from PubChem (CID 88554356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).