(1Z,7Z,13Z,19Z)-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene

C27H17N — CID 134428580

IUPAC(1Z,7Z,13Z,19Z)-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene
SMILESc1ccc2/c(c1)=c1/cccc/c1=c1\cc3cccnc3c\c1=c1/cccc/c1=2
InChIInChI=1S/C27H17N/c1-2-10-20-19(9-1)21-11-3-5-13-23(21)25-16-18-8-7-15-28-27(18)17-26(25)24-14-6-4-12-22(20)24/h1-17H/b21-19-,22-20-,25-23-,26-24-
InChIKeyNMDJWQJSBYDVOZ-HAYKGAQOSA-N
MW355.44 g/mol
LogP5.70
Rot. Bonds

About (1Z,7Z,13Z,19Z)-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene

(1Z,7Z,13Z,19Z)-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene (PubChem CID 134428580) has the molecular formula C27H17N and a molecular weight of 355.44 g/mol. Its IUPAC name is (1Z,7Z,13Z,19Z)-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene.

Molecular Properties

Compound Name(1Z,7Z,13Z,19Z)-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene
PubChem CID134428580
Molecular FormulaC27H17N
Molecular Weight355.44 g/mol
Exact Mass355.14
IUPAC Name(1Z,7Z,13Z,19Z)-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene
SMILESc1ccc2/c(c1)=c1/cccc/c1=c1\cc3cccnc3c\c1=c1/cccc/c1=2
InChIInChI=1S/C27H17N/c1-2-10-20-19(9-1)21-11-3-5-13-23(21)25-16-18-8-7-15-28-27(18)17-26(25)24-14-6-4-12-22(20)24/h1-17H/b21-19-,22-20-,25-23-,26-24-
InChIKeyNMDJWQJSBYDVOZ-HAYKGAQOSA-N
XLogP5.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1Z,7Z,13Z,19Z)-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1Z,7Z,13Z,19Z)-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene?
The IUPAC name of (1Z,7Z,13Z,19Z)-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene (CID 134428580) is (1Z,7Z,13Z,19Z)-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene.
What is the SMILES notation for (1Z,7Z,13Z,19Z)-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene?
The canonical SMILES for (1Z,7Z,13Z,19Z)-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene is c1ccc2/c(c1)=c1/cccc/c1=c1\cc3cccnc3c\c1=c1/cccc/c1=2.
What is the InChIKey of (1Z,7Z,13Z,19Z)-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene?
The InChIKey is NMDJWQJSBYDVOZ-HAYKGAQOSA-N. The full InChI is InChI=1S/C27H17N/c1-2-10-20-19(9-1)21-11-3-5-13-23(21)25-16-18-8-7-15-28-27(18)17-26(25)24-14-6-4-12-22(20)24/h1-17H/b21-19-,22-20-,25-23-,26-24-.
What are the key properties of (1Z,7Z,13Z,19Z)-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene?
(1Z,7Z,13Z,19Z)-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene has a molecular weight of 355.44 g/mol, XLogP of 5.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,7Z,13Z,19Z)-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene is sourced from PubChem (CID 134428580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).