3-methyl-2-[3-[10-[4-(3-methyl-4-pyridinyl)phenyl]anthracen-9-yl]phenyl]pyridine

C38H28N2 — CID 122642577

IUPAC3-methyl-2-[3-[10-[4-(3-methyl-4-pyridinyl)phenyl]anthracen-9-yl]phenyl]pyridine
SMILESCc1cnccc1-c1ccc(-c2c3ccccc3c(-c3cccc(-c4ncccc4C)c3)c3ccccc23)cc1
InChIInChI=1S/C38H28N2/c1-25-9-8-21-40-38(25)30-11-7-10-29(23-30)37-34-14-5-3-12-32(34)36(33-13-4-6-15-35(33)37)28-18-16-27(17-19-28)31-20-22-39-24-26(31)2/h3-24H,1-2H3
InChIKeyCIOIDXZVJJIXHU-UHFFFAOYSA-N
MW512.66 g/mol
LogP10.07
Rot. Bonds4

About 3-methyl-2-[3-[10-[4-(3-methyl-4-pyridinyl)phenyl]anthracen-9-yl]phenyl]pyridine

3-methyl-2-[3-[10-[4-(3-methyl-4-pyridinyl)phenyl]anthracen-9-yl]phenyl]pyridine (PubChem CID 122642577) has the molecular formula C38H28N2 and a molecular weight of 512.66 g/mol. Its IUPAC name is 3-methyl-2-[3-[10-[4-(3-methyl-4-pyridinyl)phenyl]anthracen-9-yl]phenyl]pyridine.

Molecular Properties

Compound Name3-methyl-2-[3-[10-[4-(3-methyl-4-pyridinyl)phenyl]anthracen-9-yl]phenyl]pyridine
PubChem CID122642577
Molecular FormulaC38H28N2
Molecular Weight512.66 g/mol
Exact Mass512.23
IUPAC Name3-methyl-2-[3-[10-[4-(3-methyl-4-pyridinyl)phenyl]anthracen-9-yl]phenyl]pyridine
SMILESCc1cnccc1-c1ccc(-c2c3ccccc3c(-c3cccc(-c4ncccc4C)c3)c3ccccc23)cc1
InChIInChI=1S/C38H28N2/c1-25-9-8-21-40-38(25)30-11-7-10-29(23-30)37-34-14-5-3-12-32(34)36(33-13-4-6-15-35(33)37)28-18-16-27(17-19-28)31-20-22-39-24-26(31)2/h3-24H,1-2H3
InChIKeyCIOIDXZVJJIXHU-UHFFFAOYSA-N
XLogP10.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.66
LogP ≤ 510.07
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-methyl-4-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 122642605
2-methyl-3-[3-[10-[4-(2-methyl-4-pyridinyl)phenyl]anthracen-9-yl]phenyl]pyridine;2-methyl-4-[4-[10-[3-(3-methyl-2-pyridinyl)phenyl]anthracen-9-yl]phenyl]pyridine;2-methyl-4-[4-[10-[3-(6-methyl-3-pyridinyl)phenyl]anthracen-9-yl]phenyl]pyridine;2-methyl-4-[4-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 160695475
3-methyl-2-(3-phenylphenyl)pyridine
CID 58975820
3-[2-methyl-3-[10-(2-methyl-3-pyridin-3-ylphenyl)-2-phenylanthracen-9-yl]phenyl]pyridine;3-methyl-2-[3-[10-[3-(3-methyl-2-pyridinyl)phenyl]-2-phenylanthracen-9-yl]phenyl]pyridine;3-[4-methyl-3-[10-(2-methyl-5-pyridin-3-ylphenyl)-2-phenylanthracen-9-yl]phenyl]pyridine;4-methyl-2-[3-[10-[3-(4-methyl-2-pyridinyl)phenyl]-2-phenylanthracen-9-yl]phenyl]pyridine
CID 158528538
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-[4-[3-(3-methyl-2-pyridinyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146586970
2-methyl-6-[4-[10-[4-(3-methyl-4-pyridinyl)phenyl]anthracen-9-yl]phenyl]pyridine;3-methyl-4-[4-[10-(2-methyl-4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine;3-methyl-4-[4-[10-(3-methyl-4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine;3-methyl-4-[4-[10-(4-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 157383197
2-methyl-3-[4-[10-[4-(2-methyl-3-pyridinyl)phenyl]-2-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine
CID 122642459
4-methyl-3-[4-[10-[4-(4-methyl-3-pyridinyl)phenyl]-2-naphthalen-1-ylanthracen-9-yl]phenyl]pyridine
CID 122642523
2-[4-[3-(3-methyl-4-pyridinyl)phenyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146587201
4-[3-(10-phenylanthracen-9-yl)phenyl]-2-pyridin-3-yl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 118314136
3-methyl-2-(3-naphtho[2,1-b][1]benzofuran-4-ylphenyl)pyridine
CID 172506694

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-[10-[4-(3-methyl-4-pyridinyl)phenyl]anthracen-9-yl]phenyl]pyridine?
The IUPAC name of 3-methyl-2-[3-[10-[4-(3-methyl-4-pyridinyl)phenyl]anthracen-9-yl]phenyl]pyridine (CID 122642577) is 3-methyl-2-[3-[10-[4-(3-methyl-4-pyridinyl)phenyl]anthracen-9-yl]phenyl]pyridine.
What is the SMILES notation for 3-methyl-2-[3-[10-[4-(3-methyl-4-pyridinyl)phenyl]anthracen-9-yl]phenyl]pyridine?
The canonical SMILES for 3-methyl-2-[3-[10-[4-(3-methyl-4-pyridinyl)phenyl]anthracen-9-yl]phenyl]pyridine is Cc1cnccc1-c1ccc(-c2c3ccccc3c(-c3cccc(-c4ncccc4C)c3)c3ccccc23)cc1.
What is the InChIKey of 3-methyl-2-[3-[10-[4-(3-methyl-4-pyridinyl)phenyl]anthracen-9-yl]phenyl]pyridine?
The InChIKey is CIOIDXZVJJIXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N2/c1-25-9-8-21-40-38(25)30-11-7-10-29(23-30)37-34-14-5-3-12-32(34)36(33-13-4-6-15-35(33)37)28-18-16-27(17-19-28)31-20-22-39-24-26(31)2/h3-24H,1-2H3.
What are the key properties of 3-methyl-2-[3-[10-[4-(3-methyl-4-pyridinyl)phenyl]anthracen-9-yl]phenyl]pyridine?
3-methyl-2-[3-[10-[4-(3-methyl-4-pyridinyl)phenyl]anthracen-9-yl]phenyl]pyridine has a molecular weight of 512.66 g/mol, XLogP of 10.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-[10-[4-(3-methyl-4-pyridinyl)phenyl]anthracen-9-yl]phenyl]pyridine is sourced from PubChem (CID 122642577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).