27,28,29,30-tetrazapentacyclo[21.3.1.12,6.110,14.115,19]triaconta-1(26),2,4,6(30),10(29),11,13,15,17,19(28),23(27),24-dodecaene

C26H24N4 — CID 21365713

IUPAC27,28,29,30-tetrazapentacyclo[21.3.1.12,6.110,14.115,19]triaconta-1(26),2,4,6(30),10(29),11,13,15,17,19(28),23(27),24-dodecaene
SMILESc1cc2nc(c1)-c1cccc(n1)CCCc1cccc(n1)-c1cccc(n1)CCC2
InChIInChI=1S/C26H24N4/c1-7-19-11-3-15-23(27-19)25-17-5-13-21(29-25)9-2-10-22-14-6-18-26(30-22)24-16-4-12-20(8-1)28-24/h3-6,11-18H,1-2,7-10H2
InChIKeyVJJWJLBDIYOPDU-UHFFFAOYSA-N
MW392.51 g/mol
LogP5.26
Rot. Bonds

About 27,28,29,30-tetrazapentacyclo[21.3.1.12,6.110,14.115,19]triaconta-1(26),2,4,6(30),10(29),11,13,15,17,19(28),23(27),24-dodecaene

27,28,29,30-tetrazapentacyclo[21.3.1.12,6.110,14.115,19]triaconta-1(26),2,4,6(30),10(29),11,13,15,17,19(28),23(27),24-dodecaene (PubChem CID 21365713) has the molecular formula C26H24N4 and a molecular weight of 392.51 g/mol. Its IUPAC name is 27,28,29,30-tetrazapentacyclo[21.3.1.12,6.110,14.115,19]triaconta-1(26),2,4,6(30),10(29),11,13,15,17,19(28),23(27),24-dodecaene.

Molecular Properties

Compound Name27,28,29,30-tetrazapentacyclo[21.3.1.12,6.110,14.115,19]triaconta-1(26),2,4,6(30),10(29),11,13,15,17,19(28),23(27),24-dodecaene
PubChem CID21365713
Molecular FormulaC26H24N4
Molecular Weight392.51 g/mol
Exact Mass392.20
IUPAC Name27,28,29,30-tetrazapentacyclo[21.3.1.12,6.110,14.115,19]triaconta-1(26),2,4,6(30),10(29),11,13,15,17,19(28),23(27),24-dodecaene
SMILESc1cc2nc(c1)-c1cccc(n1)CCCc1cccc(n1)-c1cccc(n1)CCC2
InChIInChI=1S/C26H24N4/c1-7-19-11-3-15-23(27-19)25-17-5-13-21(29-25)9-2-10-22-14-6-18-26(30-22)24-16-4-12-20(8-1)28-24/h3-6,11-18H,1-2,7-10H2
InChIKeyVJJWJLBDIYOPDU-UHFFFAOYSA-N
XLogP5.26
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.51
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 27,28,29,30-tetrazapentacyclo[21.3.1.12,6.110,14.115,19]triaconta-1(26),2,4,6(30),10(29),11,13,15,17,19(28),23(27),24-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 27,28,29,30-tetrazapentacyclo[21.3.1.12,6.110,14.115,19]triaconta-1(26),2,4,6(30),10(29),11,13,15,17,19(28),23(27),24-dodecaene?
The IUPAC name of 27,28,29,30-tetrazapentacyclo[21.3.1.12,6.110,14.115,19]triaconta-1(26),2,4,6(30),10(29),11,13,15,17,19(28),23(27),24-dodecaene (CID 21365713) is 27,28,29,30-tetrazapentacyclo[21.3.1.12,6.110,14.115,19]triaconta-1(26),2,4,6(30),10(29),11,13,15,17,19(28),23(27),24-dodecaene.
What is the SMILES notation for 27,28,29,30-tetrazapentacyclo[21.3.1.12,6.110,14.115,19]triaconta-1(26),2,4,6(30),10(29),11,13,15,17,19(28),23(27),24-dodecaene?
The canonical SMILES for 27,28,29,30-tetrazapentacyclo[21.3.1.12,6.110,14.115,19]triaconta-1(26),2,4,6(30),10(29),11,13,15,17,19(28),23(27),24-dodecaene is c1cc2nc(c1)-c1cccc(n1)CCCc1cccc(n1)-c1cccc(n1)CCC2.
What is the InChIKey of 27,28,29,30-tetrazapentacyclo[21.3.1.12,6.110,14.115,19]triaconta-1(26),2,4,6(30),10(29),11,13,15,17,19(28),23(27),24-dodecaene?
The InChIKey is VJJWJLBDIYOPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4/c1-7-19-11-3-15-23(27-19)25-17-5-13-21(29-25)9-2-10-22-14-6-18-26(30-22)24-16-4-12-20(8-1)28-24/h3-6,11-18H,1-2,7-10H2.
What are the key properties of 27,28,29,30-tetrazapentacyclo[21.3.1.12,6.110,14.115,19]triaconta-1(26),2,4,6(30),10(29),11,13,15,17,19(28),23(27),24-dodecaene?
27,28,29,30-tetrazapentacyclo[21.3.1.12,6.110,14.115,19]triaconta-1(26),2,4,6(30),10(29),11,13,15,17,19(28),23(27),24-dodecaene has a molecular weight of 392.51 g/mol, XLogP of 5.26, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 27,28,29,30-tetrazapentacyclo[21.3.1.12,6.110,14.115,19]triaconta-1(26),2,4,6(30),10(29),11,13,15,17,19(28),23(27),24-dodecaene is sourced from PubChem (CID 21365713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).