10,23-diazaheptacyclo[17.7.1.16,10.02,17.04,15.023,27.014,28]octacosa-1(27),2,4,6,8,11,14(28),15,17,21,24-undecaene

C26H20N2 — CID 87649059

IUPAC10,23-diazaheptacyclo[17.7.1.16,10.02,17.04,15.023,27.014,28]octacosa-1(27),2,4,6,8,11,14(28),15,17,21,24-undecaene
SMILESC1=CN2C=CCc3c2c(cc2cc4c(cc32)=CC2CC=CN3C=CCC4=C23)=C1
InChIInChI=1S/C26H20N2/c1-5-17-13-19-15-24-20(16-23(19)21-7-3-11-27(9-1)25(17)21)14-18-6-2-10-28-12-4-8-22(24)26(18)28/h1-5,9-16,18H,6-8H2
InChIKeyNIXKQVXGWLBZLW-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.28
Rot. Bonds

About 10,23-diazaheptacyclo[17.7.1.16,10.02,17.04,15.023,27.014,28]octacosa-1(27),2,4,6,8,11,14(28),15,17,21,24-undecaene

10,23-diazaheptacyclo[17.7.1.16,10.02,17.04,15.023,27.014,28]octacosa-1(27),2,4,6,8,11,14(28),15,17,21,24-undecaene (PubChem CID 87649059) has the molecular formula C26H20N2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 10,23-diazaheptacyclo[17.7.1.16,10.02,17.04,15.023,27.014,28]octacosa-1(27),2,4,6,8,11,14(28),15,17,21,24-undecaene.

Molecular Properties

Compound Name10,23-diazaheptacyclo[17.7.1.16,10.02,17.04,15.023,27.014,28]octacosa-1(27),2,4,6,8,11,14(28),15,17,21,24-undecaene
PubChem CID87649059
Molecular FormulaC26H20N2
Molecular Weight360.46 g/mol
Exact Mass360.16
IUPAC Name10,23-diazaheptacyclo[17.7.1.16,10.02,17.04,15.023,27.014,28]octacosa-1(27),2,4,6,8,11,14(28),15,17,21,24-undecaene
SMILESC1=CN2C=CCc3c2c(cc2cc4c(cc32)=CC2CC=CN3C=CCC4=C23)=C1
InChIInChI=1S/C26H20N2/c1-5-17-13-19-15-24-20(16-23(19)21-7-3-11-27(9-1)25(17)21)14-18-6-2-10-28-12-4-8-22(24)26(18)28/h1-5,9-16,18H,6-8H2
InChIKeyNIXKQVXGWLBZLW-UHFFFAOYSA-N
XLogP4.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10,23-diazaheptacyclo[17.7.1.16,10.02,17.04,15.023,27.014,28]octacosa-1(27),2,4,6,8,11,14(28),15,17,21,24-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,23-diazaheptacyclo[17.7.1.16,10.02,17.04,15.023,27.014,28]octacosa-1(27),2,4,6,8,11,14(28),15,17,21,24-undecaene?
The IUPAC name of 10,23-diazaheptacyclo[17.7.1.16,10.02,17.04,15.023,27.014,28]octacosa-1(27),2,4,6,8,11,14(28),15,17,21,24-undecaene (CID 87649059) is 10,23-diazaheptacyclo[17.7.1.16,10.02,17.04,15.023,27.014,28]octacosa-1(27),2,4,6,8,11,14(28),15,17,21,24-undecaene.
What is the SMILES notation for 10,23-diazaheptacyclo[17.7.1.16,10.02,17.04,15.023,27.014,28]octacosa-1(27),2,4,6,8,11,14(28),15,17,21,24-undecaene?
The canonical SMILES for 10,23-diazaheptacyclo[17.7.1.16,10.02,17.04,15.023,27.014,28]octacosa-1(27),2,4,6,8,11,14(28),15,17,21,24-undecaene is C1=CN2C=CCc3c2c(cc2cc4c(cc32)=CC2CC=CN3C=CCC4=C23)=C1.
What is the InChIKey of 10,23-diazaheptacyclo[17.7.1.16,10.02,17.04,15.023,27.014,28]octacosa-1(27),2,4,6,8,11,14(28),15,17,21,24-undecaene?
The InChIKey is NIXKQVXGWLBZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2/c1-5-17-13-19-15-24-20(16-23(19)21-7-3-11-27(9-1)25(17)21)14-18-6-2-10-28-12-4-8-22(24)26(18)28/h1-5,9-16,18H,6-8H2.
What are the key properties of 10,23-diazaheptacyclo[17.7.1.16,10.02,17.04,15.023,27.014,28]octacosa-1(27),2,4,6,8,11,14(28),15,17,21,24-undecaene?
10,23-diazaheptacyclo[17.7.1.16,10.02,17.04,15.023,27.014,28]octacosa-1(27),2,4,6,8,11,14(28),15,17,21,24-undecaene has a molecular weight of 360.46 g/mol, XLogP of 4.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,23-diazaheptacyclo[17.7.1.16,10.02,17.04,15.023,27.014,28]octacosa-1(27),2,4,6,8,11,14(28),15,17,21,24-undecaene is sourced from PubChem (CID 87649059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).