2-(20-pyridin-2-yl-3-undecacyclo[23.9.2.25,8.02,21.04,19.06,18.07,15.09,14.022,35.026,31.032,36]octatriaconta-1(35),2,4(19),5,7,9,11,13,15,17,20,22,24,26,28,30,32(36),33,37-nonadecaenyl)pyridine

C48H24N2 — CID 58050187

IUPAC2-(20-pyridin-2-yl-3-undecacyclo[23.9.2.25,8.02,21.04,19.06,18.07,15.09,14.022,35.026,31.032,36]octatriaconta-1(35),2,4(19),5,7,9,11,13,15,17,20,22,24,26,28,30,32(36),33,37-nonadecaenyl)pyridine
SMILESc1ccc(-c2c3c4ccc5c6c(ccc(c3c(-c3ccccn3)c3c7ccc8c9c(ccc(c23)c97)-c2ccccc2-8)c64)-c2ccccc2-5)nc1
InChIInChI=1S/C48H24N2/c1-2-10-26-25(9-1)29-15-19-33-41-34(20-16-30(26)39(29)41)44-43(33)47(37-13-5-7-23-49-37)45-35-21-17-31-27-11-3-4-12-28(27)32-18-22-36(42(35)40(31)32)46(45)48(44)38-14-6-8-24-50-38/h1-24H
InChIKeyCDPIGOQPKGXCHC-UHFFFAOYSA-N
MW628.73 g/mol
LogP12.90
Rot. Bonds2

About 2-(20-pyridin-2-yl-3-undecacyclo[23.9.2.25,8.02,21.04,19.06,18.07,15.09,14.022,35.026,31.032,36]octatriaconta-1(35),2,4(19),5,7,9,11,13,15,17,20,22,24,26,28,30,32(36),33,37-nonadecaenyl)pyridine

2-(20-pyridin-2-yl-3-undecacyclo[23.9.2.25,8.02,21.04,19.06,18.07,15.09,14.022,35.026,31.032,36]octatriaconta-1(35),2,4(19),5,7,9,11,13,15,17,20,22,24,26,28,30,32(36),33,37-nonadecaenyl)pyridine (PubChem CID 58050187) has the molecular formula C48H24N2 and a molecular weight of 628.73 g/mol. Its IUPAC name is 2-(20-pyridin-2-yl-3-undecacyclo[23.9.2.25,8.02,21.04,19.06,18.07,15.09,14.022,35.026,31.032,36]octatriaconta-1(35),2,4(19),5,7,9,11,13,15,17,20,22,24,26,28,30,32(36),33,37-nonadecaenyl)pyridine.

Molecular Properties

Compound Name2-(20-pyridin-2-yl-3-undecacyclo[23.9.2.25,8.02,21.04,19.06,18.07,15.09,14.022,35.026,31.032,36]octatriaconta-1(35),2,4(19),5,7,9,11,13,15,17,20,22,24,26,28,30,32(36),33,37-nonadecaenyl)pyridine
PubChem CID58050187
Molecular FormulaC48H24N2
Molecular Weight628.73 g/mol
Exact Mass628.19
IUPAC Name2-(20-pyridin-2-yl-3-undecacyclo[23.9.2.25,8.02,21.04,19.06,18.07,15.09,14.022,35.026,31.032,36]octatriaconta-1(35),2,4(19),5,7,9,11,13,15,17,20,22,24,26,28,30,32(36),33,37-nonadecaenyl)pyridine
SMILESc1ccc(-c2c3c4ccc5c6c(ccc(c3c(-c3ccccn3)c3c7ccc8c9c(ccc(c23)c97)-c2ccccc2-8)c64)-c2ccccc2-5)nc1
InChIInChI=1S/C48H24N2/c1-2-10-26-25(9-1)29-15-19-33-41-34(20-16-30(26)39(29)41)44-43(33)47(37-13-5-7-23-49-37)45-35-21-17-31-27-11-3-4-12-28(27)32-18-22-36(42(35)40(31)32)46(45)48(44)38-14-6-8-24-50-38/h1-24H
InChIKeyCDPIGOQPKGXCHC-UHFFFAOYSA-N
XLogP12.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.73
LogP ≤ 512.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(20-pyridin-2-yl-3-undecacyclo[23.9.2.25,8.02,21.04,19.06,18.07,15.09,14.022,35.026,31.032,36]octatriaconta-1(35),2,4(19),5,7,9,11,13,15,17,20,22,24,26,28,30,32(36),33,37-nonadecaenyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(20-pyridin-2-yl-3-undecacyclo[23.9.2.25,8.02,21.04,19.06,18.07,15.09,14.022,35.026,31.032,36]octatriaconta-1(35),2,4(19),5,7,9,11,13,15,17,20,22,24,26,28,30,32(36),33,37-nonadecaenyl)pyridine?
The IUPAC name of 2-(20-pyridin-2-yl-3-undecacyclo[23.9.2.25,8.02,21.04,19.06,18.07,15.09,14.022,35.026,31.032,36]octatriaconta-1(35),2,4(19),5,7,9,11,13,15,17,20,22,24,26,28,30,32(36),33,37-nonadecaenyl)pyridine (CID 58050187) is 2-(20-pyridin-2-yl-3-undecacyclo[23.9.2.25,8.02,21.04,19.06,18.07,15.09,14.022,35.026,31.032,36]octatriaconta-1(35),2,4(19),5,7,9,11,13,15,17,20,22,24,26,28,30,32(36),33,37-nonadecaenyl)pyridine.
What is the SMILES notation for 2-(20-pyridin-2-yl-3-undecacyclo[23.9.2.25,8.02,21.04,19.06,18.07,15.09,14.022,35.026,31.032,36]octatriaconta-1(35),2,4(19),5,7,9,11,13,15,17,20,22,24,26,28,30,32(36),33,37-nonadecaenyl)pyridine?
The canonical SMILES for 2-(20-pyridin-2-yl-3-undecacyclo[23.9.2.25,8.02,21.04,19.06,18.07,15.09,14.022,35.026,31.032,36]octatriaconta-1(35),2,4(19),5,7,9,11,13,15,17,20,22,24,26,28,30,32(36),33,37-nonadecaenyl)pyridine is c1ccc(-c2c3c4ccc5c6c(ccc(c3c(-c3ccccn3)c3c7ccc8c9c(ccc(c23)c97)-c2ccccc2-8)c64)-c2ccccc2-5)nc1.
What is the InChIKey of 2-(20-pyridin-2-yl-3-undecacyclo[23.9.2.25,8.02,21.04,19.06,18.07,15.09,14.022,35.026,31.032,36]octatriaconta-1(35),2,4(19),5,7,9,11,13,15,17,20,22,24,26,28,30,32(36),33,37-nonadecaenyl)pyridine?
The InChIKey is CDPIGOQPKGXCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H24N2/c1-2-10-26-25(9-1)29-15-19-33-41-34(20-16-30(26)39(29)41)44-43(33)47(37-13-5-7-23-49-37)45-35-21-17-31-27-11-3-4-12-28(27)32-18-22-36(42(35)40(31)32)46(45)48(44)38-14-6-8-24-50-38/h1-24H.
What are the key properties of 2-(20-pyridin-2-yl-3-undecacyclo[23.9.2.25,8.02,21.04,19.06,18.07,15.09,14.022,35.026,31.032,36]octatriaconta-1(35),2,4(19),5,7,9,11,13,15,17,20,22,24,26,28,30,32(36),33,37-nonadecaenyl)pyridine?
2-(20-pyridin-2-yl-3-undecacyclo[23.9.2.25,8.02,21.04,19.06,18.07,15.09,14.022,35.026,31.032,36]octatriaconta-1(35),2,4(19),5,7,9,11,13,15,17,20,22,24,26,28,30,32(36),33,37-nonadecaenyl)pyridine has a molecular weight of 628.73 g/mol, XLogP of 12.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(20-pyridin-2-yl-3-undecacyclo[23.9.2.25,8.02,21.04,19.06,18.07,15.09,14.022,35.026,31.032,36]octatriaconta-1(35),2,4(19),5,7,9,11,13,15,17,20,22,24,26,28,30,32(36),33,37-nonadecaenyl)pyridine is sourced from PubChem (CID 58050187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).