2-(14-pyridin-2-yl-3-octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaenyl)pyridine

C40H22N2 — CID 89459871

IUPAC2-(14-pyridin-2-yl-3-octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaenyl)pyridine
SMILESc1ccc(-c2c3c(c(-c4ccccn4)c4cc5ccccc5cc24)=c2ccc4c5c(ccc=3c25)=c2ccccc2=4)nc1
InChIInChI=1S/C40H22N2/c1-2-10-24-22-32-31(21-23(24)9-1)37(33-13-5-7-19-41-33)39-29-17-15-27-25-11-3-4-12-26(25)28-16-18-30(36(29)35(27)28)40(39)38(32)34-14-6-8-20-42-34/h1-22H
InChIKeyHXWXYPUUGMNJOM-UHFFFAOYSA-N
MW530.63 g/mol
LogP9.04
Rot. Bonds2

About 2-(14-pyridin-2-yl-3-octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaenyl)pyridine

2-(14-pyridin-2-yl-3-octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaenyl)pyridine (PubChem CID 89459871) has the molecular formula C40H22N2 and a molecular weight of 530.63 g/mol. Its IUPAC name is 2-(14-pyridin-2-yl-3-octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaenyl)pyridine.

Molecular Properties

Compound Name2-(14-pyridin-2-yl-3-octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaenyl)pyridine
PubChem CID89459871
Molecular FormulaC40H22N2
Molecular Weight530.63 g/mol
Exact Mass530.18
IUPAC Name2-(14-pyridin-2-yl-3-octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaenyl)pyridine
SMILESc1ccc(-c2c3c(c(-c4ccccn4)c4cc5ccccc5cc24)=c2ccc4c5c(ccc=3c25)=c2ccccc2=4)nc1
InChIInChI=1S/C40H22N2/c1-2-10-24-22-32-31(21-23(24)9-1)37(33-13-5-7-19-41-33)39-29-17-15-27-25-11-3-4-12-26(25)28-16-18-30(36(29)35(27)28)40(39)38(32)34-14-6-8-20-42-34/h1-22H
InChIKeyHXWXYPUUGMNJOM-UHFFFAOYSA-N
XLogP9.04
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 ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(14-pyridin-2-yl-3-octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaenyl)pyridine with MolForge

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Related Compounds

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CID 58282370
decacyclo[17.13.2.22,5.03,15.04,12.06,11.016,33.020,29.022,27.030,34]hexatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene;ethane
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CID 139150015
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
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2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine
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Frequently Asked Questions

What is the IUPAC name of 2-(14-pyridin-2-yl-3-octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaenyl)pyridine?
The IUPAC name of 2-(14-pyridin-2-yl-3-octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaenyl)pyridine (CID 89459871) is 2-(14-pyridin-2-yl-3-octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaenyl)pyridine.
What is the SMILES notation for 2-(14-pyridin-2-yl-3-octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaenyl)pyridine?
The canonical SMILES for 2-(14-pyridin-2-yl-3-octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaenyl)pyridine is c1ccc(-c2c3c(c(-c4ccccn4)c4cc5ccccc5cc24)=c2ccc4c5c(ccc=3c25)=c2ccccc2=4)nc1.
What is the InChIKey of 2-(14-pyridin-2-yl-3-octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaenyl)pyridine?
The InChIKey is HXWXYPUUGMNJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22N2/c1-2-10-24-22-32-31(21-23(24)9-1)37(33-13-5-7-19-41-33)39-29-17-15-27-25-11-3-4-12-26(25)28-16-18-30(36(29)35(27)28)40(39)38(32)34-14-6-8-20-42-34/h1-22H.
What are the key properties of 2-(14-pyridin-2-yl-3-octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaenyl)pyridine?
2-(14-pyridin-2-yl-3-octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaenyl)pyridine has a molecular weight of 530.63 g/mol, XLogP of 9.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(14-pyridin-2-yl-3-octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaenyl)pyridine is sourced from PubChem (CID 89459871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).