9,19-dimethyl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene

C24H18N2 — CID 163441537

IUPAC9,19-dimethyl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene
SMILESCc1ccc2c(c1)[nH]c1cc3c(cc12)[nH]c1cc(C)c2ccccc2c13
InChIInChI=1S/C24H18N2/c1-13-7-8-16-18-11-22-19(12-21(18)25-20(16)9-13)24-17-6-4-3-5-15(17)14(2)10-23(24)26-22/h3-12,25-26H,1-2H3
InChIKeyAYYQKVCHNZZUMR-UHFFFAOYSA-N
MW334.42 g/mol
LogP6.73
Rot. Bonds

About 9,19-dimethyl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene

9,19-dimethyl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene (PubChem CID 163441537) has the molecular formula C24H18N2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 9,19-dimethyl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene.

Molecular Properties

Compound Name9,19-dimethyl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene
PubChem CID163441537
Molecular FormulaC24H18N2
Molecular Weight334.42 g/mol
Exact Mass334.15
IUPAC Name9,19-dimethyl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene
SMILESCc1ccc2c(c1)[nH]c1cc3c(cc12)[nH]c1cc(C)c2ccccc2c13
InChIInChI=1S/C24H18N2/c1-13-7-8-16-18-11-22-19(12-21(18)25-20(16)9-13)24-17-6-4-3-5-15(17)14(2)10-23(24)26-22/h3-12,25-26H,1-2H3
InChIKeyAYYQKVCHNZZUMR-UHFFFAOYSA-N
XLogP6.73
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze 9,19-dimethyl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,19-dimethyl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene?
The IUPAC name of 9,19-dimethyl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene (CID 163441537) is 9,19-dimethyl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene.
What is the SMILES notation for 9,19-dimethyl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene?
The canonical SMILES for 9,19-dimethyl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene is Cc1ccc2c(c1)[nH]c1cc3c(cc12)[nH]c1cc(C)c2ccccc2c13.
What is the InChIKey of 9,19-dimethyl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene?
The InChIKey is AYYQKVCHNZZUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2/c1-13-7-8-16-18-11-22-19(12-21(18)25-20(16)9-13)24-17-6-4-3-5-15(17)14(2)10-23(24)26-22/h3-12,25-26H,1-2H3.
What are the key properties of 9,19-dimethyl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene?
9,19-dimethyl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene has a molecular weight of 334.42 g/mol, XLogP of 6.73, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,19-dimethyl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene is sourced from PubChem (CID 163441537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).