3-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine

C40H27N — CID 90361392

IUPAC3-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine
SMILESCc1ncccc1-c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C40H27N/c1-26-34(15-8-22-41-26)31-20-21-37-38(25-31)40(33-19-17-28-10-3-5-12-30(28)24-33)36-14-7-6-13-35(36)39(37)32-18-16-27-9-2-4-11-29(27)23-32/h2-25H,1H3
InChIKeyWVODYPHZJHFMMV-UHFFFAOYSA-N
MW521.66 g/mol
LogP11.00
Rot. Bonds3

About 3-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine

3-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine (PubChem CID 90361392) has the molecular formula C40H27N and a molecular weight of 521.66 g/mol. Its IUPAC name is 3-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine.

Molecular Properties

Compound Name3-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine
PubChem CID90361392
Molecular FormulaC40H27N
Molecular Weight521.66 g/mol
Exact Mass521.21
IUPAC Name3-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine
SMILESCc1ncccc1-c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C40H27N/c1-26-34(15-8-22-41-26)31-20-21-37-38(25-31)40(33-19-17-28-10-3-5-12-30(28)24-33)36-14-7-6-13-35(36)39(37)32-18-16-27-9-2-4-11-29(27)23-32/h2-25H,1H3
InChIKeyWVODYPHZJHFMMV-UHFFFAOYSA-N
XLogP11.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.66
LogP ≤ 511.00
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

5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-methylpyrimidine
CID 90361613
3-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylpyridine
CID 90361636
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3-phenylpyridine
CID 90361507
6-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]benzo[f]quinoline
CID 58323837
2-methyl-3-[4-[10-[4-(2-methyl-3-pyridinyl)phenyl]-2-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine
CID 122642459
4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine
CID 90361413
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
5-[4-(9,10-dinaphthalen-2-yl-7-phenylanthracen-2-yl)phenyl]benzo[h]quinoline
CID 58323929
6-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]benzo[f]quinoline
CID 58323733
2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)-9-(3-naphthalen-2-ylphenyl)anthracene
CID 58323030
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine
CID 58592230
2-naphthalen-1-yl-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 58322960

Frequently Asked Questions

What is the IUPAC name of 3-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine?
The IUPAC name of 3-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine (CID 90361392) is 3-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine.
What is the SMILES notation for 3-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine?
The canonical SMILES for 3-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine is Cc1ncccc1-c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1.
What is the InChIKey of 3-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine?
The InChIKey is WVODYPHZJHFMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N/c1-26-34(15-8-22-41-26)31-20-21-37-38(25-31)40(33-19-17-28-10-3-5-12-30(28)24-33)36-14-7-6-13-35(36)39(37)32-18-16-27-9-2-4-11-29(27)23-32/h2-25H,1H3.
What are the key properties of 3-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine?
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine has a molecular weight of 521.66 g/mol, XLogP of 11.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine is sourced from PubChem (CID 90361392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).