13,28-diazaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(28),2,4,6,8,10,12,14,16,18(27),19,21,23,25-tetradecaene

C26H14N2 — CID 137442418

IUPAC13,28-diazaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(28),2,4,6,8,10,12,14,16,18(27),19,21,23,25-tetradecaene
SMILESc1ccc2c3c(ccc2c1)-c1ccc2c(c1=N3)=c1ccc3ccccc3c1=N2
InChIInChI=1S/C26H14N2/c1-3-7-17-15(5-1)9-11-19-20-13-14-22-23(26(20)28-24(17)19)21-12-10-16-6-2-4-8-18(16)25(21)27-22/h1-14H
InChIKeySGMAUCIAUWLUSZ-UHFFFAOYSA-N
MW354.41 g/mol
LogP5.48
Rot. Bonds

About 13,28-diazaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(28),2,4,6,8,10,12,14,16,18(27),19,21,23,25-tetradecaene

13,28-diazaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(28),2,4,6,8,10,12,14,16,18(27),19,21,23,25-tetradecaene (PubChem CID 137442418) has the molecular formula C26H14N2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 13,28-diazaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(28),2,4,6,8,10,12,14,16,18(27),19,21,23,25-tetradecaene.

Molecular Properties

Compound Name13,28-diazaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(28),2,4,6,8,10,12,14,16,18(27),19,21,23,25-tetradecaene
PubChem CID137442418
Molecular FormulaC26H14N2
Molecular Weight354.41 g/mol
Exact Mass354.12
IUPAC Name13,28-diazaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(28),2,4,6,8,10,12,14,16,18(27),19,21,23,25-tetradecaene
SMILESc1ccc2c3c(ccc2c1)-c1ccc2c(c1=N3)=c1ccc3ccccc3c1=N2
InChIInChI=1S/C26H14N2/c1-3-7-17-15(5-1)9-11-19-20-13-14-22-23(26(20)28-24(17)19)21-12-10-16-6-2-4-8-18(16)25(21)27-22/h1-14H
InChIKeySGMAUCIAUWLUSZ-UHFFFAOYSA-N
XLogP5.48
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 13,28-diazaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(28),2,4,6,8,10,12,14,16,18(27),19,21,23,25-tetradecaene with MolForge

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Related Compounds

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CID 137442443
naphtho[1,2-c]diazete
CID 54377699
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CID 15525083
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CID 161431298
phenanthrene;sulfane
CID 159172584
2-methyl-1H-benzo[e]indole;2-methyl-3H-benzo[g]indole
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1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
naphtho[2,1-b]azete
CID 66777316
2-tert-butyl-3H-benzo[g]indole
CID 58793851
3H-benzo[f][1,4]benzoxazine;2H-benzo[h][1,4]benzoxazine;ethane;dihydroiodide
CID 159223906
4-naphthalen-1-ylbenzimidazol-2-one
CID 171482352
3H-benzo[f][1,4]benzoxazine;2H-benzo[h][1,4]benzoxazine;ethane;sulfanylidenephosphane
CID 160670834

Frequently Asked Questions

What is the IUPAC name of 13,28-diazaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(28),2,4,6,8,10,12,14,16,18(27),19,21,23,25-tetradecaene?
The IUPAC name of 13,28-diazaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(28),2,4,6,8,10,12,14,16,18(27),19,21,23,25-tetradecaene (CID 137442418) is 13,28-diazaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(28),2,4,6,8,10,12,14,16,18(27),19,21,23,25-tetradecaene.
What is the SMILES notation for 13,28-diazaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(28),2,4,6,8,10,12,14,16,18(27),19,21,23,25-tetradecaene?
The canonical SMILES for 13,28-diazaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(28),2,4,6,8,10,12,14,16,18(27),19,21,23,25-tetradecaene is c1ccc2c3c(ccc2c1)-c1ccc2c(c1=N3)=c1ccc3ccccc3c1=N2.
What is the InChIKey of 13,28-diazaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(28),2,4,6,8,10,12,14,16,18(27),19,21,23,25-tetradecaene?
The InChIKey is SGMAUCIAUWLUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14N2/c1-3-7-17-15(5-1)9-11-19-20-13-14-22-23(26(20)28-24(17)19)21-12-10-16-6-2-4-8-18(16)25(21)27-22/h1-14H.
What are the key properties of 13,28-diazaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(28),2,4,6,8,10,12,14,16,18(27),19,21,23,25-tetradecaene?
13,28-diazaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(28),2,4,6,8,10,12,14,16,18(27),19,21,23,25-tetradecaene has a molecular weight of 354.41 g/mol, XLogP of 5.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13,28-diazaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(28),2,4,6,8,10,12,14,16,18(27),19,21,23,25-tetradecaene is sourced from PubChem (CID 137442418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).