2-hexahelicen-1-ylpyridine

C31H19N — CID 146019951

IUPAC2-hexahelicen-1-ylpyridine
SMILESc1ccc(-c2cccc3ccc4ccc5ccc6ccc7ccccc7c6c5c4c23)nc1
InChIInChI=1S/C31H19N/c1-2-8-25-20(6-1)11-12-22-14-16-23-17-18-24-15-13-21-7-5-9-26(27-10-3-4-19-32-27)29(21)31(24)30(23)28(22)25/h1-19H
InChIKeyCLWLXEFOYPJIII-UHFFFAOYSA-N
MW405.50 g/mol
LogP8.51
Rot. Bonds1

About 2-hexahelicen-1-ylpyridine

2-hexahelicen-1-ylpyridine (PubChem CID 146019951) has the molecular formula C31H19N and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-hexahelicen-1-ylpyridine.

Molecular Properties

Compound Name2-hexahelicen-1-ylpyridine
PubChem CID146019951
Molecular FormulaC31H19N
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC Name2-hexahelicen-1-ylpyridine
SMILESc1ccc(-c2cccc3ccc4ccc5ccc6ccc7ccccc7c6c5c4c23)nc1
InChIInChI=1S/C31H19N/c1-2-8-25-20(6-1)11-12-22-14-16-23-17-18-24-15-13-21-7-5-9-26(27-10-3-4-19-32-27)29(21)31(24)30(23)28(22)25/h1-19H
InChIKeyCLWLXEFOYPJIII-UHFFFAOYSA-N
XLogP8.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(22-pyridin-2-yl-12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl)pyridine
CID 58738539
2-naphthalen-1-ylpyridine;quinoxaline
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2-(3,6,8-trinaphthalen-1-ylpyren-1-yl)pyridine
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2-[2-[(E)-2-pyren-1-ylethenyl]phenyl]pyridine
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2-(25-pyridin-2-yl-7-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4,6,8(22),9,11,13,15(38),16,18,20,23,25,27,29,31,33(37),34-nonadecaenyl)pyridine
CID 58471026
2-(11,11-dimethylbenzo[a]fluoren-10-yl)pyridine
CID 168745083
12-(2,6-dipyridin-2-ylphenyl)-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 145009975
8-pyridin-2-ylquinoline
CID 10982041
8-[4-pyridin-2-yl-6-[6-(4-pyridin-2-yl-6-quinolin-8-yl-1,3,5-triazin-2-yl)pyren-1-yl]-1,3,5-triazin-2-yl]quinoline
CID 168782523
8-[4-[6-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)pyren-1-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline
CID 168782527
2-(6-naphthalen-2-ylpyren-1-yl)pyridine
CID 118652991
2-[4-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]naphthalen-1-yl]phenyl]pyridine
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Frequently Asked Questions

What is the IUPAC name of 2-hexahelicen-1-ylpyridine?
The IUPAC name of 2-hexahelicen-1-ylpyridine (CID 146019951) is 2-hexahelicen-1-ylpyridine.
What is the SMILES notation for 2-hexahelicen-1-ylpyridine?
The canonical SMILES for 2-hexahelicen-1-ylpyridine is c1ccc(-c2cccc3ccc4ccc5ccc6ccc7ccccc7c6c5c4c23)nc1.
What is the InChIKey of 2-hexahelicen-1-ylpyridine?
The InChIKey is CLWLXEFOYPJIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N/c1-2-8-25-20(6-1)11-12-22-14-16-23-17-18-24-15-13-21-7-5-9-26(27-10-3-4-19-32-27)29(21)31(24)30(23)28(22)25/h1-19H.
What are the key properties of 2-hexahelicen-1-ylpyridine?
2-hexahelicen-1-ylpyridine has a molecular weight of 405.50 g/mol, XLogP of 8.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexahelicen-1-ylpyridine is sourced from PubChem (CID 146019951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).