9,18,27-trimethyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene

C27H21N3 — CID 12629253

IUPAC9,18,27-trimethyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
SMILESCn1c2ccccc2c2c1c1c3ccccc3n(C)c1c1c3ccccc3n(C)c21
InChIInChI=1S/C27H21N3/c1-28-19-13-7-4-10-16(19)22-25(28)23-17-11-5-8-14-20(17)29(2)27(23)24-18-12-6-9-15-21(18)30(3)26(22)24/h4-15H,1-3H3
InChIKeyWTVFUGVRXZTYEZ-UHFFFAOYSA-N
MW387.49 g/mol
LogP6.62
Rot. Bonds

About 9,18,27-trimethyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene

9,18,27-trimethyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene (PubChem CID 12629253) has the molecular formula C27H21N3 and a molecular weight of 387.49 g/mol. Its IUPAC name is 9,18,27-trimethyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene.

Molecular Properties

Compound Name9,18,27-trimethyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
PubChem CID12629253
Molecular FormulaC27H21N3
Molecular Weight387.49 g/mol
Exact Mass387.17
IUPAC Name9,18,27-trimethyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
SMILESCn1c2ccccc2c2c1c1c3ccccc3n(C)c1c1c3ccccc3n(C)c21
InChIInChI=1S/C27H21N3/c1-28-19-13-7-4-10-16(19)22-25(28)23-17-11-5-8-14-20(17)29(2)27(23)24-18-12-6-9-15-21(18)30(3)26(22)24/h4-15H,1-3H3
InChIKeyWTVFUGVRXZTYEZ-UHFFFAOYSA-N
XLogP6.62
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.49
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9,18,27-trimethyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,18,27-trimethyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene?
The IUPAC name of 9,18,27-trimethyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene (CID 12629253) is 9,18,27-trimethyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene.
What is the SMILES notation for 9,18,27-trimethyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene?
The canonical SMILES for 9,18,27-trimethyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene is Cn1c2ccccc2c2c1c1c3ccccc3n(C)c1c1c3ccccc3n(C)c21.
What is the InChIKey of 9,18,27-trimethyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene?
The InChIKey is WTVFUGVRXZTYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3/c1-28-19-13-7-4-10-16(19)22-25(28)23-17-11-5-8-14-20(17)29(2)27(23)24-18-12-6-9-15-21(18)30(3)26(22)24/h4-15H,1-3H3.
What are the key properties of 9,18,27-trimethyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene?
9,18,27-trimethyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene has a molecular weight of 387.49 g/mol, XLogP of 6.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,18,27-trimethyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene is sourced from PubChem (CID 12629253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).