3,9,15-trimethyl-2,8,14-triazatetracyclo[14.2.2.24,7.210,13]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene

C24H21N3 — CID 10689287

IUPAC3,9,15-trimethyl-2,8,14-triazatetracyclo[14.2.2.24,7.210,13]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
SMILESCc1nc2ccc(cc2)c(C)nc2ccc(cc2)c(C)nc2ccc1cc2
InChIInChI=1S/C24H21N3/c1-16-19-4-10-23(11-5-19)26-18(3)21-8-14-24(15-9-21)27-17(2)20-6-12-22(25-16)13-7-20/h4-15H,1-3H3/b19-16-,20-17-,21-18-,25-16-,25-22-,26-18-,26-23-,27-17-,27-24-
InChIKeyGNKMASQQJMNDSH-OGXCFAGWSA-N
MW351.45 g/mol
LogP5.94
Rot. Bonds

About 3,9,15-trimethyl-2,8,14-triazatetracyclo[14.2.2.24,7.210,13]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene

3,9,15-trimethyl-2,8,14-triazatetracyclo[14.2.2.24,7.210,13]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene (PubChem CID 10689287) has the molecular formula C24H21N3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3,9,15-trimethyl-2,8,14-triazatetracyclo[14.2.2.24,7.210,13]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene.

Molecular Properties

Compound Name3,9,15-trimethyl-2,8,14-triazatetracyclo[14.2.2.24,7.210,13]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
PubChem CID10689287
Molecular FormulaC24H21N3
Molecular Weight351.45 g/mol
Exact Mass351.17
IUPAC Name3,9,15-trimethyl-2,8,14-triazatetracyclo[14.2.2.24,7.210,13]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
SMILESCc1nc2ccc(cc2)c(C)nc2ccc(cc2)c(C)nc2ccc1cc2
InChIInChI=1S/C24H21N3/c1-16-19-4-10-23(11-5-19)26-18(3)21-8-14-24(15-9-21)27-17(2)20-6-12-22(25-16)13-7-20/h4-15H,1-3H3/b19-16-,20-17-,21-18-,25-16-,25-22-,26-18-,26-23-,27-17-,27-24-
InChIKeyGNKMASQQJMNDSH-OGXCFAGWSA-N
XLogP5.94
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,9,15-trimethyl-2,8,14-triazatetracyclo[14.2.2.24,7.210,13]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,9,15-trimethyl-2,8,14-triazatetracyclo[14.2.2.24,7.210,13]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene?
The IUPAC name of 3,9,15-trimethyl-2,8,14-triazatetracyclo[14.2.2.24,7.210,13]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene (CID 10689287) is 3,9,15-trimethyl-2,8,14-triazatetracyclo[14.2.2.24,7.210,13]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene.
What is the SMILES notation for 3,9,15-trimethyl-2,8,14-triazatetracyclo[14.2.2.24,7.210,13]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene?
The canonical SMILES for 3,9,15-trimethyl-2,8,14-triazatetracyclo[14.2.2.24,7.210,13]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene is Cc1nc2ccc(cc2)c(C)nc2ccc(cc2)c(C)nc2ccc1cc2.
What is the InChIKey of 3,9,15-trimethyl-2,8,14-triazatetracyclo[14.2.2.24,7.210,13]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene?
The InChIKey is GNKMASQQJMNDSH-OGXCFAGWSA-N. The full InChI is InChI=1S/C24H21N3/c1-16-19-4-10-23(11-5-19)26-18(3)21-8-14-24(15-9-21)27-17(2)20-6-12-22(25-16)13-7-20/h4-15H,1-3H3/b19-16-,20-17-,21-18-,25-16-,25-22-,26-18-,26-23-,27-17-,27-24-.
What are the key properties of 3,9,15-trimethyl-2,8,14-triazatetracyclo[14.2.2.24,7.210,13]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene?
3,9,15-trimethyl-2,8,14-triazatetracyclo[14.2.2.24,7.210,13]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene has a molecular weight of 351.45 g/mol, XLogP of 5.94, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9,15-trimethyl-2,8,14-triazatetracyclo[14.2.2.24,7.210,13]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene is sourced from PubChem (CID 10689287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).