5,20-bis[2-(2-methylphenyl)phenyl]-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene

C56H36N2 — CID 154591214

IUPAC5,20-bis[2-(2-methylphenyl)phenyl]-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene
SMILESCc1ccccc1-c1ccccc1-c1ccc2c(c1)c1c3c4ccccc4n4c5ccc(-c6ccccc6-c6ccccc6C)cc5c(c5c6ccccc6n2c51)c34
InChIInChI=1S/C56H36N2/c1-33-15-3-5-17-37(33)41-21-9-7-19-39(41)35-27-29-49-45(31-35)53-51-43-23-11-14-26-48(43)58-50-30-28-36(40-20-8-10-22-42(40)38-18-6-4-16-34(38)2)32-46(50)54(56(51)58)52-44-24-12-13-25-47(44)57(49)55(52)53/h3-32H,1-2H3
InChIKeyJSWATQPGIAEQAR-UHFFFAOYSA-N
MW736.92 g/mol
LogP15.27
Rot. Bonds4

About 5,20-bis[2-(2-methylphenyl)phenyl]-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene

5,20-bis[2-(2-methylphenyl)phenyl]-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene (PubChem CID 154591214) has the molecular formula C56H36N2 and a molecular weight of 736.92 g/mol. Its IUPAC name is 5,20-bis[2-(2-methylphenyl)phenyl]-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene.

Molecular Properties

Compound Name5,20-bis[2-(2-methylphenyl)phenyl]-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene
PubChem CID154591214
Molecular FormulaC56H36N2
Molecular Weight736.92 g/mol
Exact Mass736.29
IUPAC Name5,20-bis[2-(2-methylphenyl)phenyl]-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene
SMILESCc1ccccc1-c1ccccc1-c1ccc2c(c1)c1c3c4ccccc4n4c5ccc(-c6ccccc6-c6ccccc6C)cc5c(c5c6ccccc6n2c51)c34
InChIInChI=1S/C56H36N2/c1-33-15-3-5-17-37(33)41-21-9-7-19-39(41)35-27-29-49-45(31-35)53-51-43-23-11-14-26-48(43)58-50-30-28-36(40-20-8-10-22-42(40)38-18-6-4-16-34(38)2)32-46(50)54(56(51)58)52-44-24-12-13-25-47(44)57(49)55(52)53/h3-32H,1-2H3
InChIKeyJSWATQPGIAEQAR-UHFFFAOYSA-N
XLogP15.27
TPSA8.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.92
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,20-bis[2-(2-methylphenyl)phenyl]-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,20-bis[2-(2-methylphenyl)phenyl]-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene?
The IUPAC name of 5,20-bis[2-(2-methylphenyl)phenyl]-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene (CID 154591214) is 5,20-bis[2-(2-methylphenyl)phenyl]-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene.
What is the SMILES notation for 5,20-bis[2-(2-methylphenyl)phenyl]-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene?
The canonical SMILES for 5,20-bis[2-(2-methylphenyl)phenyl]-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene is Cc1ccccc1-c1ccccc1-c1ccc2c(c1)c1c3c4ccccc4n4c5ccc(-c6ccccc6-c6ccccc6C)cc5c(c5c6ccccc6n2c51)c34.
What is the InChIKey of 5,20-bis[2-(2-methylphenyl)phenyl]-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene?
The InChIKey is JSWATQPGIAEQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2/c1-33-15-3-5-17-37(33)41-21-9-7-19-39(41)35-27-29-49-45(31-35)53-51-43-23-11-14-26-48(43)58-50-30-28-36(40-20-8-10-22-42(40)38-18-6-4-16-34(38)2)32-46(50)54(56(51)58)52-44-24-12-13-25-47(44)57(49)55(52)53/h3-32H,1-2H3.
What are the key properties of 5,20-bis[2-(2-methylphenyl)phenyl]-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene?
5,20-bis[2-(2-methylphenyl)phenyl]-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene has a molecular weight of 736.92 g/mol, XLogP of 15.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,20-bis[2-(2-methylphenyl)phenyl]-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene is sourced from PubChem (CID 154591214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).