2-(5,5,21,21-tetramethyl-15,27,31-tripyridin-2-yl-11-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9,11,13,15,17(34),18,23,25(33),26,28,30-hexadecaenyl)pyridine

C58H40N4 — CID 58233463

IUPAC2-(5,5,21,21-tetramethyl-15,27,31-tripyridin-2-yl-11-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9,11,13,15,17(34),18,23,25(33),26,28,30-hexadecaenyl)pyridine
SMILESCC1(C)c2cc3c(cc2C(C)(C)c2cc4c(cc21)-c1cc(-c2ccccn2)cc2cc(-c5ccccn5)cc-4c12)-c1cc(-c2ccccn2)cc2cc(-c4ccccn4)cc-3c12
InChIInChI=1S/C58H40N4/c1-57(2)47-29-39-41(45-27-35(53-15-7-11-19-61-53)23-37-21-33(25-43(39)55(37)45)51-13-5-9-17-59-51)31-49(47)58(3,4)50-32-42-40(30-48(50)57)44-26-34(52-14-6-10-18-60-52)22-38-24-36(28-46(42)56(38)44)54-16-8-12-20-62-54/h5-32H,1-4H3
InChIKeyPZCBXSCGWFGKBM-UHFFFAOYSA-N
MW792.99 g/mol
LogP14.50
Rot. Bonds4

About 2-(5,5,21,21-tetramethyl-15,27,31-tripyridin-2-yl-11-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9,11,13,15,17(34),18,23,25(33),26,28,30-hexadecaenyl)pyridine

2-(5,5,21,21-tetramethyl-15,27,31-tripyridin-2-yl-11-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9,11,13,15,17(34),18,23,25(33),26,28,30-hexadecaenyl)pyridine (PubChem CID 58233463) has the molecular formula C58H40N4 and a molecular weight of 792.99 g/mol. Its IUPAC name is 2-(5,5,21,21-tetramethyl-15,27,31-tripyridin-2-yl-11-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9,11,13,15,17(34),18,23,25(33),26,28,30-hexadecaenyl)pyridine.

Molecular Properties

Compound Name2-(5,5,21,21-tetramethyl-15,27,31-tripyridin-2-yl-11-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9,11,13,15,17(34),18,23,25(33),26,28,30-hexadecaenyl)pyridine
PubChem CID58233463
Molecular FormulaC58H40N4
Molecular Weight792.99 g/mol
Exact Mass792.33
IUPAC Name2-(5,5,21,21-tetramethyl-15,27,31-tripyridin-2-yl-11-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9,11,13,15,17(34),18,23,25(33),26,28,30-hexadecaenyl)pyridine
SMILESCC1(C)c2cc3c(cc2C(C)(C)c2cc4c(cc21)-c1cc(-c2ccccn2)cc2cc(-c5ccccn5)cc-4c12)-c1cc(-c2ccccn2)cc2cc(-c4ccccn4)cc-3c12
InChIInChI=1S/C58H40N4/c1-57(2)47-29-39-41(45-27-35(53-15-7-11-19-61-53)23-37-21-33(25-43(39)55(37)45)51-13-5-9-17-59-51)31-49(47)58(3,4)50-32-42-40(30-48(50)57)44-26-34(52-14-6-10-18-60-52)22-38-24-36(28-46(42)56(38)44)54-16-8-12-20-62-54/h5-32H,1-4H3
InChIKeyPZCBXSCGWFGKBM-UHFFFAOYSA-N
XLogP14.50
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.99
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5,5,21,21-tetramethyl-15,27,31-tripyridin-2-yl-11-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9,11,13,15,17(34),18,23,25(33),26,28,30-hexadecaenyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5,5,21,21-tetramethyl-15,27,31-tripyridin-2-yl-11-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9,11,13,15,17(34),18,23,25(33),26,28,30-hexadecaenyl)pyridine?
The IUPAC name of 2-(5,5,21,21-tetramethyl-15,27,31-tripyridin-2-yl-11-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9,11,13,15,17(34),18,23,25(33),26,28,30-hexadecaenyl)pyridine (CID 58233463) is 2-(5,5,21,21-tetramethyl-15,27,31-tripyridin-2-yl-11-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9,11,13,15,17(34),18,23,25(33),26,28,30-hexadecaenyl)pyridine.
What is the SMILES notation for 2-(5,5,21,21-tetramethyl-15,27,31-tripyridin-2-yl-11-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9,11,13,15,17(34),18,23,25(33),26,28,30-hexadecaenyl)pyridine?
The canonical SMILES for 2-(5,5,21,21-tetramethyl-15,27,31-tripyridin-2-yl-11-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9,11,13,15,17(34),18,23,25(33),26,28,30-hexadecaenyl)pyridine is CC1(C)c2cc3c(cc2C(C)(C)c2cc4c(cc21)-c1cc(-c2ccccn2)cc2cc(-c5ccccn5)cc-4c12)-c1cc(-c2ccccn2)cc2cc(-c4ccccn4)cc-3c12.
What is the InChIKey of 2-(5,5,21,21-tetramethyl-15,27,31-tripyridin-2-yl-11-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9,11,13,15,17(34),18,23,25(33),26,28,30-hexadecaenyl)pyridine?
The InChIKey is PZCBXSCGWFGKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N4/c1-57(2)47-29-39-41(45-27-35(53-15-7-11-19-61-53)23-37-21-33(25-43(39)55(37)45)51-13-5-9-17-59-51)31-49(47)58(3,4)50-32-42-40(30-48(50)57)44-26-34(52-14-6-10-18-60-52)22-38-24-36(28-46(42)56(38)44)54-16-8-12-20-62-54/h5-32H,1-4H3.
What are the key properties of 2-(5,5,21,21-tetramethyl-15,27,31-tripyridin-2-yl-11-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9,11,13,15,17(34),18,23,25(33),26,28,30-hexadecaenyl)pyridine?
2-(5,5,21,21-tetramethyl-15,27,31-tripyridin-2-yl-11-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9,11,13,15,17(34),18,23,25(33),26,28,30-hexadecaenyl)pyridine has a molecular weight of 792.99 g/mol, XLogP of 14.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5,21,21-tetramethyl-15,27,31-tripyridin-2-yl-11-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9,11,13,15,17(34),18,23,25(33),26,28,30-hexadecaenyl)pyridine is sourced from PubChem (CID 58233463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).