3-[6-[10-(3-methylphenyl)anthracen-9-yl]naphthalen-2-yl]-5-pyridin-3-ylpyridine

C41H28N2 — CID 88554456

IUPAC3-[6-[10-(3-methylphenyl)anthracen-9-yl]naphthalen-2-yl]-5-pyridin-3-ylpyridine
SMILESCc1cccc(-c2c3ccccc3c(-c3ccc4cc(-c5cncc(-c6cccnc6)c5)ccc4c3)c3ccccc23)c1
InChIInChI=1S/C41H28N2/c1-27-8-6-9-31(20-27)40-36-11-2-4-13-38(36)41(39-14-5-3-12-37(39)40)32-18-17-28-21-30(16-15-29(28)22-32)34-23-35(26-43-25-34)33-10-7-19-42-24-33/h2-26H,1H3
InChIKeyKNFAGTCVDFBMOH-UHFFFAOYSA-N
MW548.69 g/mol
LogP10.91
Rot. Bonds4

About 3-[6-[10-(3-methylphenyl)anthracen-9-yl]naphthalen-2-yl]-5-pyridin-3-ylpyridine

3-[6-[10-(3-methylphenyl)anthracen-9-yl]naphthalen-2-yl]-5-pyridin-3-ylpyridine (PubChem CID 88554456) has the molecular formula C41H28N2 and a molecular weight of 548.69 g/mol. Its IUPAC name is 3-[6-[10-(3-methylphenyl)anthracen-9-yl]naphthalen-2-yl]-5-pyridin-3-ylpyridine.

Molecular Properties

Compound Name3-[6-[10-(3-methylphenyl)anthracen-9-yl]naphthalen-2-yl]-5-pyridin-3-ylpyridine
PubChem CID88554456
Molecular FormulaC41H28N2
Molecular Weight548.69 g/mol
Exact Mass548.23
IUPAC Name3-[6-[10-(3-methylphenyl)anthracen-9-yl]naphthalen-2-yl]-5-pyridin-3-ylpyridine
SMILESCc1cccc(-c2c3ccccc3c(-c3ccc4cc(-c5cncc(-c6cccnc6)c5)ccc4c3)c3ccccc23)c1
InChIInChI=1S/C41H28N2/c1-27-8-6-9-31(20-27)40-36-11-2-4-13-38(36)41(39-14-5-3-12-37(39)40)32-18-17-28-21-30(16-15-29(28)22-32)34-23-35(26-43-25-34)33-10-7-19-42-24-33/h2-26H,1H3
InChIKeyKNFAGTCVDFBMOH-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-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-pyridin-3-ylpyridine
CID 88554356
9-(3-methylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
CID 163825229
5-[3-[10-(7-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-2-pyridin-3-ylpyridine
CID 88554768
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-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
methylidenephosphane;3-(3-methylphenyl)pyridine
CID 144875841
2-methyl-4-[5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridinyl]pyridine
CID 88554596
3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine
CID 90361582
3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]pyridine
CID 88551707
3-methyl-5-(5-pyridin-3-yl-3-pyridinyl)pyridine
CID 170233955
2-(5-methyl-3-pyridinyl)-5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]pyridine
CID 88554552

Frequently Asked Questions

What is the IUPAC name of 3-[6-[10-(3-methylphenyl)anthracen-9-yl]naphthalen-2-yl]-5-pyridin-3-ylpyridine?
The IUPAC name of 3-[6-[10-(3-methylphenyl)anthracen-9-yl]naphthalen-2-yl]-5-pyridin-3-ylpyridine (CID 88554456) is 3-[6-[10-(3-methylphenyl)anthracen-9-yl]naphthalen-2-yl]-5-pyridin-3-ylpyridine.
What is the SMILES notation for 3-[6-[10-(3-methylphenyl)anthracen-9-yl]naphthalen-2-yl]-5-pyridin-3-ylpyridine?
The canonical SMILES for 3-[6-[10-(3-methylphenyl)anthracen-9-yl]naphthalen-2-yl]-5-pyridin-3-ylpyridine is Cc1cccc(-c2c3ccccc3c(-c3ccc4cc(-c5cncc(-c6cccnc6)c5)ccc4c3)c3ccccc23)c1.
What is the InChIKey of 3-[6-[10-(3-methylphenyl)anthracen-9-yl]naphthalen-2-yl]-5-pyridin-3-ylpyridine?
The InChIKey is KNFAGTCVDFBMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2/c1-27-8-6-9-31(20-27)40-36-11-2-4-13-38(36)41(39-14-5-3-12-37(39)40)32-18-17-28-21-30(16-15-29(28)22-32)34-23-35(26-43-25-34)33-10-7-19-42-24-33/h2-26H,1H3.
What are the key properties of 3-[6-[10-(3-methylphenyl)anthracen-9-yl]naphthalen-2-yl]-5-pyridin-3-ylpyridine?
3-[6-[10-(3-methylphenyl)anthracen-9-yl]naphthalen-2-yl]-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-[6-[10-(3-methylphenyl)anthracen-9-yl]naphthalen-2-yl]-5-pyridin-3-ylpyridine is sourced from PubChem (CID 88554456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).