4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine

C40H27N — CID 90361413

IUPAC4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine
SMILESCc1cc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)ccn1
InChIInChI=1S/C40H27N/c1-26-22-32(20-21-41-26)31-18-19-37-38(25-31)40(34-17-15-28-9-3-5-11-30(28)24-34)36-13-7-6-12-35(36)39(37)33-16-14-27-8-2-4-10-29(27)23-33/h2-25H,1H3
InChIKeyMCTBQRMBYPCXTJ-UHFFFAOYSA-N
MW521.66 g/mol
LogP11.00
Rot. Bonds3

About 4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine

4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine (PubChem CID 90361413) has the molecular formula C40H27N and a molecular weight of 521.66 g/mol. Its IUPAC name is 4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine.

Molecular Properties

Compound Name4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine
PubChem CID90361413
Molecular FormulaC40H27N
Molecular Weight521.66 g/mol
Exact Mass521.21
IUPAC Name4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine
SMILESCc1cc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)ccn1
InChIInChI=1S/C40H27N/c1-26-22-32(20-21-41-26)31-18-19-37-38(25-31)40(34-17-15-28-9-3-5-11-30(28)24-34)36-13-7-6-12-35(36)39(37)33-16-14-27-8-2-4-10-29(27)23-33/h2-25H,1H3
InChIKeyMCTBQRMBYPCXTJ-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

2-methyl-4-[5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridinyl]pyridine
CID 88554596
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
2-methyl-5-[4-[10-[4-(6-methyl-3-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine
CID 122642449
2-methyl-4-[6-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-2-pyridinyl]pyridine
CID 88554648
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine
CID 90361392
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine
CID 58592230
10-methyl-2-naphthalen-2-yl-9-phenylanthracene
CID 144687142
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094

Frequently Asked Questions

What is the IUPAC name of 4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine?
The IUPAC name of 4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine (CID 90361413) is 4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine.
What is the SMILES notation for 4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine?
The canonical SMILES for 4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine is Cc1cc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)ccn1.
What is the InChIKey of 4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine?
The InChIKey is MCTBQRMBYPCXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N/c1-26-22-32(20-21-41-26)31-18-19-37-38(25-31)40(34-17-15-28-9-3-5-11-30(28)24-34)36-13-7-6-12-35(36)39(37)33-16-14-27-8-2-4-10-29(27)23-33/h2-25H,1H3.
What are the key properties of 4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine?
4-(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 4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine is sourced from PubChem (CID 90361413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).