10,15,23-triazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11(16),12,14,17,19,21,24,26,28-tetradecaene

C27H17N3 — CID 138474741

IUPAC10,15,23-triazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11(16),12,14,17,19,21,24,26,28-tetradecaene
SMILESc1ccc2c(c1)cc1c3cc4ccccc4n3c3cccnc3c3ccccc3n21
InChIInChI=1S/C27H17N3/c1-4-11-21-18(8-1)16-25-26-17-19-9-2-5-12-22(19)30(26)24-14-7-15-28-27(24)20-10-3-6-13-23(20)29(21)25/h1-17H
InChIKeyKCCMVGVAPPRHJA-UHFFFAOYSA-N
MW383.45 g/mol
LogP6.76
Rot. Bonds

About 10,15,23-triazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11(16),12,14,17,19,21,24,26,28-tetradecaene

10,15,23-triazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11(16),12,14,17,19,21,24,26,28-tetradecaene (PubChem CID 138474741) has the molecular formula C27H17N3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 10,15,23-triazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11(16),12,14,17,19,21,24,26,28-tetradecaene.

Molecular Properties

Compound Name10,15,23-triazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11(16),12,14,17,19,21,24,26,28-tetradecaene
PubChem CID138474741
Molecular FormulaC27H17N3
Molecular Weight383.45 g/mol
Exact Mass383.14
IUPAC Name10,15,23-triazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11(16),12,14,17,19,21,24,26,28-tetradecaene
SMILESc1ccc2c(c1)cc1c3cc4ccccc4n3c3cccnc3c3ccccc3n21
InChIInChI=1S/C27H17N3/c1-4-11-21-18(8-1)16-25-26-17-19-9-2-5-12-22(19)30(26)24-14-7-15-28-27(24)20-10-3-6-13-23(20)29(21)25/h1-17H
InChIKeyKCCMVGVAPPRHJA-UHFFFAOYSA-N
XLogP6.76
TPSA21.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10,15,23-triazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11(16),12,14,17,19,21,24,26,28-tetradecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,15,23-triazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11(16),12,14,17,19,21,24,26,28-tetradecaene?
The IUPAC name of 10,15,23-triazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11(16),12,14,17,19,21,24,26,28-tetradecaene (CID 138474741) is 10,15,23-triazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11(16),12,14,17,19,21,24,26,28-tetradecaene.
What is the SMILES notation for 10,15,23-triazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11(16),12,14,17,19,21,24,26,28-tetradecaene?
The canonical SMILES for 10,15,23-triazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11(16),12,14,17,19,21,24,26,28-tetradecaene is c1ccc2c(c1)cc1c3cc4ccccc4n3c3cccnc3c3ccccc3n21.
What is the InChIKey of 10,15,23-triazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11(16),12,14,17,19,21,24,26,28-tetradecaene?
The InChIKey is KCCMVGVAPPRHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N3/c1-4-11-21-18(8-1)16-25-26-17-19-9-2-5-12-22(19)30(26)24-14-7-15-28-27(24)20-10-3-6-13-23(20)29(21)25/h1-17H.
What are the key properties of 10,15,23-triazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11(16),12,14,17,19,21,24,26,28-tetradecaene?
10,15,23-triazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11(16),12,14,17,19,21,24,26,28-tetradecaene has a molecular weight of 383.45 g/mol, XLogP of 6.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,15,23-triazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11(16),12,14,17,19,21,24,26,28-tetradecaene is sourced from PubChem (CID 138474741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).