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

C32H18N2 — CID 58738539

IUPAC2-(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
SMILESc1ccc(-c2c3cccc4ccc5c(-c6ccccn6)c6cccc7ccc2c(c76)c5c43)nc1
InChIInChI=1S/C32H18N2/c1-3-17-33-25(11-1)29-21-9-5-7-19-14-16-24-30(26-12-2-4-18-34-26)22-10-6-8-20-13-15-23(29)31(28(20)22)32(24)27(19)21/h1-18H
InChIKeyNBMWNIZTGUKSIS-UHFFFAOYSA-N
MW430.51 g/mol
LogP8.45
Rot. Bonds2

About 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

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 (PubChem CID 58738539) has the molecular formula C32H18N2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID58738539
Molecular FormulaC32H18N2
Molecular Weight430.51 g/mol
Exact Mass430.15
IUPAC Name2-(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
SMILESc1ccc(-c2c3cccc4ccc5c(-c6ccccn6)c6cccc7ccc2c(c76)c5c43)nc1
InChIInChI=1S/C32H18N2/c1-3-17-33-25(11-1)29-21-9-5-7-19-14-16-24-30(26-12-2-4-18-34-26)22-10-6-8-20-13-15-23(29)31(28(20)22)32(24)27(19)21/h1-18H
InChIKeyNBMWNIZTGUKSIS-UHFFFAOYSA-N
XLogP8.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hexahelicen-1-ylpyridine
CID 146019951
2-benzo[a]anthracen-7-ylpyridine
CID 154825161
2-[2-[(E)-2-pyren-1-ylethenyl]phenyl]pyridine
CID 138968741
4-(4-pyren-1-ylphenyl)-2,6-dipyridin-2-ylpyridine
CID 175635810
4-methyl-2,6-dipyridin-2-ylpyridine;1-methylpyrene
CID 157476808
2-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-5-pyridin-2-ylpyrazine
CID 167412066
2-(2-methoxynaphthalen-1-yl)pyridine
CID 71446434
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
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2c3cccc4ccc5c(-c6ccccn6)c6cccc7ccc2c(c76)c5c43)nc1.
What is the InChIKey of 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?
The InChIKey is NBMWNIZTGUKSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N2/c1-3-17-33-25(11-1)29-21-9-5-7-19-14-16-24-30(26-12-2-4-18-34-26)22-10-6-8-20-13-15-23(29)31(28(20)22)32(24)27(19)21/h1-18H.
What are the key properties of 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?
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 has a molecular weight of 430.51 g/mol, XLogP of 8.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58738539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).