4,6,25,27-tetramethyl-9,22-diazahexacyclo[20.10.2.03,8.09,32.023,28.030,34]tetratriaconta-1(33),3,5,7,23,25,27,30(34),31-nonaene-2,29-dione

C36H42N2O2 — CID 102265854

IUPAC4,6,25,27-tetramethyl-9,22-diazahexacyclo[20.10.2.03,8.09,32.023,28.030,34]tetratriaconta-1(33),3,5,7,23,25,27,30(34),31-nonaene-2,29-dione
SMILESCc1cc(C)c2c(=O)c3cc4c5cc3n(c2c1)CCCCCCCCCCCCn4c1cc(C)cc(C)c1c5=O
InChIInChI=1S/C36H42N2O2/c1-23-17-25(3)33-31(19-23)37-15-13-11-9-7-5-6-8-10-12-14-16-38-30-22-27(35(33)39)29(37)21-28(30)36(40)34-26(4)18-24(2)20-32(34)38/h17-22H,5-16H2,1-4H3
InChIKeyIZHJKAQGQWVKAA-UHFFFAOYSA-N
MW534.74 g/mol
LogP8.77
Rot. Bonds

About 4,6,25,27-tetramethyl-9,22-diazahexacyclo[20.10.2.03,8.09,32.023,28.030,34]tetratriaconta-1(33),3,5,7,23,25,27,30(34),31-nonaene-2,29-dione

4,6,25,27-tetramethyl-9,22-diazahexacyclo[20.10.2.03,8.09,32.023,28.030,34]tetratriaconta-1(33),3,5,7,23,25,27,30(34),31-nonaene-2,29-dione (PubChem CID 102265854) has the molecular formula C36H42N2O2 and a molecular weight of 534.74 g/mol. Its IUPAC name is 4,6,25,27-tetramethyl-9,22-diazahexacyclo[20.10.2.03,8.09,32.023,28.030,34]tetratriaconta-1(33),3,5,7,23,25,27,30(34),31-nonaene-2,29-dione.

Molecular Properties

Compound Name4,6,25,27-tetramethyl-9,22-diazahexacyclo[20.10.2.03,8.09,32.023,28.030,34]tetratriaconta-1(33),3,5,7,23,25,27,30(34),31-nonaene-2,29-dione
PubChem CID102265854
Molecular FormulaC36H42N2O2
Molecular Weight534.74 g/mol
Exact Mass534.32
IUPAC Name4,6,25,27-tetramethyl-9,22-diazahexacyclo[20.10.2.03,8.09,32.023,28.030,34]tetratriaconta-1(33),3,5,7,23,25,27,30(34),31-nonaene-2,29-dione
SMILESCc1cc(C)c2c(=O)c3cc4c5cc3n(c2c1)CCCCCCCCCCCCn4c1cc(C)cc(C)c1c5=O
InChIInChI=1S/C36H42N2O2/c1-23-17-25(3)33-31(19-23)37-15-13-11-9-7-5-6-8-10-12-14-16-38-30-22-27(35(33)39)29(37)21-28(30)36(40)34-26(4)18-24(2)20-32(34)38/h17-22H,5-16H2,1-4H3
InChIKeyIZHJKAQGQWVKAA-UHFFFAOYSA-N
XLogP8.77
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.74
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,6,25,27-tetramethyl-9,22-diazahexacyclo[20.10.2.03,8.09,32.023,28.030,34]tetratriaconta-1(33),3,5,7,23,25,27,30(34),31-nonaene-2,29-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,6,25,27-tetramethyl-9,22-diazahexacyclo[20.10.2.03,8.09,32.023,28.030,34]tetratriaconta-1(33),3,5,7,23,25,27,30(34),31-nonaene-2,29-dione?
The IUPAC name of 4,6,25,27-tetramethyl-9,22-diazahexacyclo[20.10.2.03,8.09,32.023,28.030,34]tetratriaconta-1(33),3,5,7,23,25,27,30(34),31-nonaene-2,29-dione (CID 102265854) is 4,6,25,27-tetramethyl-9,22-diazahexacyclo[20.10.2.03,8.09,32.023,28.030,34]tetratriaconta-1(33),3,5,7,23,25,27,30(34),31-nonaene-2,29-dione.
What is the SMILES notation for 4,6,25,27-tetramethyl-9,22-diazahexacyclo[20.10.2.03,8.09,32.023,28.030,34]tetratriaconta-1(33),3,5,7,23,25,27,30(34),31-nonaene-2,29-dione?
The canonical SMILES for 4,6,25,27-tetramethyl-9,22-diazahexacyclo[20.10.2.03,8.09,32.023,28.030,34]tetratriaconta-1(33),3,5,7,23,25,27,30(34),31-nonaene-2,29-dione is Cc1cc(C)c2c(=O)c3cc4c5cc3n(c2c1)CCCCCCCCCCCCn4c1cc(C)cc(C)c1c5=O.
What is the InChIKey of 4,6,25,27-tetramethyl-9,22-diazahexacyclo[20.10.2.03,8.09,32.023,28.030,34]tetratriaconta-1(33),3,5,7,23,25,27,30(34),31-nonaene-2,29-dione?
The InChIKey is IZHJKAQGQWVKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42N2O2/c1-23-17-25(3)33-31(19-23)37-15-13-11-9-7-5-6-8-10-12-14-16-38-30-22-27(35(33)39)29(37)21-28(30)36(40)34-26(4)18-24(2)20-32(34)38/h17-22H,5-16H2,1-4H3.
What are the key properties of 4,6,25,27-tetramethyl-9,22-diazahexacyclo[20.10.2.03,8.09,32.023,28.030,34]tetratriaconta-1(33),3,5,7,23,25,27,30(34),31-nonaene-2,29-dione?
4,6,25,27-tetramethyl-9,22-diazahexacyclo[20.10.2.03,8.09,32.023,28.030,34]tetratriaconta-1(33),3,5,7,23,25,27,30(34),31-nonaene-2,29-dione has a molecular weight of 534.74 g/mol, XLogP of 8.77, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,25,27-tetramethyl-9,22-diazahexacyclo[20.10.2.03,8.09,32.023,28.030,34]tetratriaconta-1(33),3,5,7,23,25,27,30(34),31-nonaene-2,29-dione is sourced from PubChem (CID 102265854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).