2-(21-pyridin-2-yl-7-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaenyl)pyridine

C40H22N2 — CID 59171873

IUPAC2-(21-pyridin-2-yl-7-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaenyl)pyridine
SMILESc1ccc(-c2ccc3c(c2)c2cc4c(cc5c6cc(-c7ccccn7)ccc6c6cccc4c65)c4cccc3c42)nc1
InChIInChI=1S/C40H22N2/c1-3-17-41-37(11-1)23-13-15-25-27-7-5-9-29-34-22-36-32-20-24(38-12-2-4-18-42-38)14-16-26(32)28-8-6-10-30(40(28)36)33(34)21-35(39(27)29)31(25)19-23/h1-22H
InChIKeyAYSRNGZEACOZKS-UHFFFAOYSA-N
MW530.63 g/mol
LogP10.76
Rot. Bonds2

About 2-(21-pyridin-2-yl-7-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaenyl)pyridine

2-(21-pyridin-2-yl-7-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaenyl)pyridine (PubChem CID 59171873) has the molecular formula C40H22N2 and a molecular weight of 530.63 g/mol. Its IUPAC name is 2-(21-pyridin-2-yl-7-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaenyl)pyridine.

Molecular Properties

Compound Name2-(21-pyridin-2-yl-7-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaenyl)pyridine
PubChem CID59171873
Molecular FormulaC40H22N2
Molecular Weight530.63 g/mol
Exact Mass530.18
IUPAC Name2-(21-pyridin-2-yl-7-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaenyl)pyridine
SMILESc1ccc(-c2ccc3c(c2)c2cc4c(cc5c6cc(-c7ccccn7)ccc6c6cccc4c65)c4cccc3c42)nc1
InChIInChI=1S/C40H22N2/c1-3-17-41-37(11-1)23-13-15-25-27-7-5-9-29-34-22-36-32-20-24(38-12-2-4-18-42-38)14-16-26(32)28-8-6-10-30(40(28)36)33(34)21-35(39(27)29)31(25)19-23/h1-22H
InChIKeyAYSRNGZEACOZKS-UHFFFAOYSA-N
XLogP10.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.63
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(21-pyridin-2-yl-7-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaenyl)pyridine with MolForge

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Related Compounds

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CID 59582996
2-(4-pyridin-2-ylphenyl)-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
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8-[11-(3,10-dipyridin-2-yltriphenylen-1-yl)-7-quinolin-8-yltriphenylen-2-yl]-4-(7-pyridin-2-yltriphenylen-2-yl)quinoline
CID 137458976
2-(13-phenyl-6-pyridin-2-yl-16-heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaenyl)pyridine
CID 68642568
2-[3-(7-methyltriphenylen-2-yl)-5-pyridin-2-ylphenyl]pyridine
CID 145180167
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CID 130265192
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CID 134167567
4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine
CID 130264416
2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine
CID 171724335
2-[3-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)phenyl]pyridine
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Frequently Asked Questions

What is the IUPAC name of 2-(21-pyridin-2-yl-7-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaenyl)pyridine?
The IUPAC name of 2-(21-pyridin-2-yl-7-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaenyl)pyridine (CID 59171873) is 2-(21-pyridin-2-yl-7-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaenyl)pyridine.
What is the SMILES notation for 2-(21-pyridin-2-yl-7-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaenyl)pyridine?
The canonical SMILES for 2-(21-pyridin-2-yl-7-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaenyl)pyridine is c1ccc(-c2ccc3c(c2)c2cc4c(cc5c6cc(-c7ccccn7)ccc6c6cccc4c65)c4cccc3c42)nc1.
What is the InChIKey of 2-(21-pyridin-2-yl-7-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaenyl)pyridine?
The InChIKey is AYSRNGZEACOZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22N2/c1-3-17-41-37(11-1)23-13-15-25-27-7-5-9-29-34-22-36-32-20-24(38-12-2-4-18-42-38)14-16-26(32)28-8-6-10-30(40(28)36)33(34)21-35(39(27)29)31(25)19-23/h1-22H.
What are the key properties of 2-(21-pyridin-2-yl-7-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaenyl)pyridine?
2-(21-pyridin-2-yl-7-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaenyl)pyridine has a molecular weight of 530.63 g/mol, XLogP of 10.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(21-pyridin-2-yl-7-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaenyl)pyridine is sourced from PubChem (CID 59171873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).