22,23-bis(4-methoxyphenyl)-1,10,12,21-tetrazahexacyclo[19.2.1.03,8.010,23.012,22.014,19]tetracosa-3,5,7,14,16,18-hexaene-11,24-dione

C34H30N4O4 — CID 5246182

IUPAC22,23-bis(4-methoxyphenyl)-1,10,12,21-tetrazahexacyclo[19.2.1.03,8.010,23.012,22.014,19]tetracosa-3,5,7,14,16,18-hexaene-11,24-dione
SMILESCOc1ccc(C23N4Cc5ccccc5CN2C(=O)N2Cc5ccccc5CN(C4=O)C23c2ccc(OC)cc2)cc1
InChIInChI=1S/C34H30N4O4/c1-41-29-15-11-27(12-16-29)33-34(28-13-17-30(42-2)18-14-28)37-21-25-9-5-6-10-26(25)22-38(34)32(40)36(33)20-24-8-4-3-7-23(24)19-35(33)31(37)39/h3-18H,19-22H2,1-2H3
InChIKeyUMDYPYVEZOUHEM-UHFFFAOYSA-N
MW558.64 g/mol
LogP5.61
Rot. Bonds4

About 22,23-bis(4-methoxyphenyl)-1,10,12,21-tetrazahexacyclo[19.2.1.03,8.010,23.012,22.014,19]tetracosa-3,5,7,14,16,18-hexaene-11,24-dione

22,23-bis(4-methoxyphenyl)-1,10,12,21-tetrazahexacyclo[19.2.1.03,8.010,23.012,22.014,19]tetracosa-3,5,7,14,16,18-hexaene-11,24-dione (PubChem CID 5246182) has the molecular formula C34H30N4O4 and a molecular weight of 558.64 g/mol. Its IUPAC name is 22,23-bis(4-methoxyphenyl)-1,10,12,21-tetrazahexacyclo[19.2.1.03,8.010,23.012,22.014,19]tetracosa-3,5,7,14,16,18-hexaene-11,24-dione.

Molecular Properties

Compound Name22,23-bis(4-methoxyphenyl)-1,10,12,21-tetrazahexacyclo[19.2.1.03,8.010,23.012,22.014,19]tetracosa-3,5,7,14,16,18-hexaene-11,24-dione
PubChem CID5246182
Molecular FormulaC34H30N4O4
Molecular Weight558.64 g/mol
Exact Mass558.23
IUPAC Name22,23-bis(4-methoxyphenyl)-1,10,12,21-tetrazahexacyclo[19.2.1.03,8.010,23.012,22.014,19]tetracosa-3,5,7,14,16,18-hexaene-11,24-dione
SMILESCOc1ccc(C23N4Cc5ccccc5CN2C(=O)N2Cc5ccccc5CN(C4=O)C23c2ccc(OC)cc2)cc1
InChIInChI=1S/C34H30N4O4/c1-41-29-15-11-27(12-16-29)33-34(28-13-17-30(42-2)18-14-28)37-21-25-9-5-6-10-26(25)22-38(34)32(40)36(33)20-24-8-4-3-7-23(24)19-35(33)31(37)39/h3-18H,19-22H2,1-2H3
InChIKeyUMDYPYVEZOUHEM-UHFFFAOYSA-N
XLogP5.61
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.64
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 22,23-bis(4-methoxyphenyl)-1,10,12,21-tetrazahexacyclo[19.2.1.03,8.010,23.012,22.014,19]tetracosa-3,5,7,14,16,18-hexaene-11,24-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 22,23-bis(4-methoxyphenyl)-1,10,12,21-tetrazahexacyclo[19.2.1.03,8.010,23.012,22.014,19]tetracosa-3,5,7,14,16,18-hexaene-11,24-dione?
The IUPAC name of 22,23-bis(4-methoxyphenyl)-1,10,12,21-tetrazahexacyclo[19.2.1.03,8.010,23.012,22.014,19]tetracosa-3,5,7,14,16,18-hexaene-11,24-dione (CID 5246182) is 22,23-bis(4-methoxyphenyl)-1,10,12,21-tetrazahexacyclo[19.2.1.03,8.010,23.012,22.014,19]tetracosa-3,5,7,14,16,18-hexaene-11,24-dione.
What is the SMILES notation for 22,23-bis(4-methoxyphenyl)-1,10,12,21-tetrazahexacyclo[19.2.1.03,8.010,23.012,22.014,19]tetracosa-3,5,7,14,16,18-hexaene-11,24-dione?
The canonical SMILES for 22,23-bis(4-methoxyphenyl)-1,10,12,21-tetrazahexacyclo[19.2.1.03,8.010,23.012,22.014,19]tetracosa-3,5,7,14,16,18-hexaene-11,24-dione is COc1ccc(C23N4Cc5ccccc5CN2C(=O)N2Cc5ccccc5CN(C4=O)C23c2ccc(OC)cc2)cc1.
What is the InChIKey of 22,23-bis(4-methoxyphenyl)-1,10,12,21-tetrazahexacyclo[19.2.1.03,8.010,23.012,22.014,19]tetracosa-3,5,7,14,16,18-hexaene-11,24-dione?
The InChIKey is UMDYPYVEZOUHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N4O4/c1-41-29-15-11-27(12-16-29)33-34(28-13-17-30(42-2)18-14-28)37-21-25-9-5-6-10-26(25)22-38(34)32(40)36(33)20-24-8-4-3-7-23(24)19-35(33)31(37)39/h3-18H,19-22H2,1-2H3.
What are the key properties of 22,23-bis(4-methoxyphenyl)-1,10,12,21-tetrazahexacyclo[19.2.1.03,8.010,23.012,22.014,19]tetracosa-3,5,7,14,16,18-hexaene-11,24-dione?
22,23-bis(4-methoxyphenyl)-1,10,12,21-tetrazahexacyclo[19.2.1.03,8.010,23.012,22.014,19]tetracosa-3,5,7,14,16,18-hexaene-11,24-dione has a molecular weight of 558.64 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 22,23-bis(4-methoxyphenyl)-1,10,12,21-tetrazahexacyclo[19.2.1.03,8.010,23.012,22.014,19]tetracosa-3,5,7,14,16,18-hexaene-11,24-dione is sourced from PubChem (CID 5246182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).