6-ethenyl-18-[(E)-prop-1-enyl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C25H19N — CID 134443510

IUPAC6-ethenyl-18-[(E)-prop-1-enyl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
SMILESC=Cc1cccc2c1ccc1c3ccc4c(/C=C/C)cccc4c3[nH]c21
InChIInChI=1S/C25H19N/c1-3-7-17-9-6-11-21-19(17)13-15-23-22-14-12-18-16(4-2)8-5-10-20(18)24(22)26-25(21)23/h3-15,26H,2H2,1H3/b7-3+
InChIKeyBLUASVLOAVJWRJ-XVNBXDOJSA-N
MW333.43 g/mol
LogP7.30
Rot. Bonds2

About 6-ethenyl-18-[(E)-prop-1-enyl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

6-ethenyl-18-[(E)-prop-1-enyl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 134443510) has the molecular formula C25H19N and a molecular weight of 333.43 g/mol. Its IUPAC name is 6-ethenyl-18-[(E)-prop-1-enyl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

Compound Name6-ethenyl-18-[(E)-prop-1-enyl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
PubChem CID134443510
Molecular FormulaC25H19N
Molecular Weight333.43 g/mol
Exact Mass333.15
IUPAC Name6-ethenyl-18-[(E)-prop-1-enyl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
SMILESC=Cc1cccc2c1ccc1c3ccc4c(/C=C/C)cccc4c3[nH]c21
InChIInChI=1S/C25H19N/c1-3-7-17-9-6-11-21-19(17)13-15-23-22-14-12-18-16(4-2)8-5-10-20(18)24(22)26-25(21)23/h3-15,26H,2H2,1H3/b7-3+
InChIKeyBLUASVLOAVJWRJ-XVNBXDOJSA-N
XLogP7.30
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 6-ethenyl-18-[(E)-prop-1-enyl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-18-[(E)-prop-1-enyl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The IUPAC name of 6-ethenyl-18-[(E)-prop-1-enyl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 134443510) is 6-ethenyl-18-[(E)-prop-1-enyl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.
What is the SMILES notation for 6-ethenyl-18-[(E)-prop-1-enyl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The canonical SMILES for 6-ethenyl-18-[(E)-prop-1-enyl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is C=Cc1cccc2c1ccc1c3ccc4c(/C=C/C)cccc4c3[nH]c21.
What is the InChIKey of 6-ethenyl-18-[(E)-prop-1-enyl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The InChIKey is BLUASVLOAVJWRJ-XVNBXDOJSA-N. The full InChI is InChI=1S/C25H19N/c1-3-7-17-9-6-11-21-19(17)13-15-23-22-14-12-18-16(4-2)8-5-10-20(18)24(22)26-25(21)23/h3-15,26H,2H2,1H3/b7-3+.
What are the key properties of 6-ethenyl-18-[(E)-prop-1-enyl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
6-ethenyl-18-[(E)-prop-1-enyl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 333.43 g/mol, XLogP of 7.30, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-18-[(E)-prop-1-enyl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 134443510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).