9-ethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene

C25H19N — CID 122464016

IUPAC9-ethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
SMILESCCn1c2ccccc2c2c3c(ccc21)Cc1ccc2ccccc2c1-3
InChIInChI=1S/C25H19N/c1-2-26-21-10-6-5-9-20(21)25-22(26)14-13-18-15-17-12-11-16-7-3-4-8-19(16)23(17)24(18)25/h3-14H,2,15H2,1H3
InChIKeyCJPWAAWHJNJQQB-UHFFFAOYSA-N
MW333.43 g/mol
LogP6.54
Rot. Bonds1

About 9-ethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene

9-ethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene (PubChem CID 122464016) has the molecular formula C25H19N and a molecular weight of 333.43 g/mol. Its IUPAC name is 9-ethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene.

Molecular Properties

Compound Name9-ethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
PubChem CID122464016
Molecular FormulaC25H19N
Molecular Weight333.43 g/mol
Exact Mass333.15
IUPAC Name9-ethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
SMILESCCn1c2ccccc2c2c3c(ccc21)Cc1ccc2ccccc2c1-3
InChIInChI=1S/C25H19N/c1-2-26-21-10-6-5-9-20(21)25-22(26)14-13-18-15-17-12-11-16-7-3-4-8-19(16)23(17)24(18)25/h3-14H,2,15H2,1H3
InChIKeyCJPWAAWHJNJQQB-UHFFFAOYSA-N
XLogP6.54
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-ethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?
The IUPAC name of 9-ethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene (CID 122464016) is 9-ethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene.
What is the SMILES notation for 9-ethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?
The canonical SMILES for 9-ethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene is CCn1c2ccccc2c2c3c(ccc21)Cc1ccc2ccccc2c1-3.
What is the InChIKey of 9-ethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?
The InChIKey is CJPWAAWHJNJQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N/c1-2-26-21-10-6-5-9-20(21)25-22(26)14-13-18-15-17-12-11-16-7-3-4-8-19(16)23(17)24(18)25/h3-14H,2,15H2,1H3.
What are the key properties of 9-ethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?
9-ethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene has a molecular weight of 333.43 g/mol, XLogP of 6.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene is sourced from PubChem (CID 122464016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).