2-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)-6-methylpyridine

C26H15N — CID 177452773

IUPAC2-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)-6-methylpyridine
SMILESCc1cccc(-c2cc3ccc4ccc5ccc6ccc2c2c6c5c4c32)n1
InChIInChI=1S/C26H15N/c1-14-3-2-4-21(27-14)20-13-18-10-9-16-6-5-15-7-8-17-11-12-19(20)26-24(17)22(15)23(16)25(18)26/h2-13H,1H3
InChIKeyFZWPQBUGZPWULD-UHFFFAOYSA-N
MW341.41 g/mol
LogP7.14
Rot. Bonds1

About 2-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)-6-methylpyridine

2-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)-6-methylpyridine (PubChem CID 177452773) has the molecular formula C26H15N and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)-6-methylpyridine.

Molecular Properties

Compound Name2-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)-6-methylpyridine
PubChem CID177452773
Molecular FormulaC26H15N
Molecular Weight341.41 g/mol
Exact Mass341.12
IUPAC Name2-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)-6-methylpyridine
SMILESCc1cccc(-c2cc3ccc4ccc5ccc6ccc2c2c6c5c4c32)n1
InChIInChI=1S/C26H15N/c1-14-3-2-4-21(27-14)20-13-18-10-9-16-6-5-15-7-8-17-11-12-19(20)26-24(17)22(15)23(16)25(18)26/h2-13H,1H3
InChIKeyFZWPQBUGZPWULD-UHFFFAOYSA-N
XLogP7.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)-6-methylpyridine with MolForge

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Related Compounds

CID 140508108
CID 140508108
CID 140508165
CID 140508165
2-methyl-6-(4-methylthiophen-3-yl)pyridine
CID 58416818
methyl 3-hydroxy-4-(6-methyl-2-pyridinyl)benzoate
CID 145449122
1-pyren-4-ylpyrene
CID 71343129
2-[7-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)naphthalen-2-yl]hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene
CID 59805094
2-anthracen-9-yl-6-methylpyridine
CID 144659337
2-methyl-6-[10-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
CID 58894807
2-(2-chloro-5-methoxyphenyl)-6-methylpyridine;ethane
CID 144911954
6,7-dimethyl-2,3-bis(6-methyl-2-pyridinyl)quinoxaline
CID 15427002
trimethoxy(pyren-2-yl)silane
CID 23434774
2,4,6-tris[3,5-bis(6-methyl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 129265668

Frequently Asked Questions

What is the IUPAC name of 2-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)-6-methylpyridine?
The IUPAC name of 2-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)-6-methylpyridine (CID 177452773) is 2-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)-6-methylpyridine.
What is the SMILES notation for 2-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)-6-methylpyridine?
The canonical SMILES for 2-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)-6-methylpyridine is Cc1cccc(-c2cc3ccc4ccc5ccc6ccc2c2c6c5c4c32)n1.
What is the InChIKey of 2-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)-6-methylpyridine?
The InChIKey is FZWPQBUGZPWULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15N/c1-14-3-2-4-21(27-14)20-13-18-10-9-16-6-5-15-7-8-17-11-12-19(20)26-24(17)22(15)23(16)25(18)26/h2-13H,1H3.
What are the key properties of 2-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)-6-methylpyridine?
2-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)-6-methylpyridine has a molecular weight of 341.41 g/mol, XLogP of 7.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaenyl)-6-methylpyridine is sourced from PubChem (CID 177452773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).