(1Z,9Z,13Z,19Z)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene

C22H20N4 — CID 139592499

IUPAC(1Z,9Z,13Z,19Z)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene
SMILESC1=C2/CC/C(=C3\CCc4cc([nH]c43)/C=c3/cc/c([nH]3)=C/c3ccc/1[nH]3)N2
InChIInChI=1S/C22H20N4/c1-7-20-21-8-6-18(25-21)11-16-3-2-14(23-16)10-15-4-5-17(24-15)12-19-9-13(1)22(20)26-19/h2-5,9-12,23-26H,1,6-8H2/b15-10-,17-12-,18-11-,21-20-
InChIKeyWRURTWIFRXGTEP-UXHRNZQSSA-N
MW340.43 g/mol
LogP2.72
Rot. Bonds

About (1Z,9Z,13Z,19Z)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene

(1Z,9Z,13Z,19Z)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene (PubChem CID 139592499) has the molecular formula C22H20N4 and a molecular weight of 340.43 g/mol. Its IUPAC name is (1Z,9Z,13Z,19Z)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene.

Molecular Properties

Compound Name(1Z,9Z,13Z,19Z)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene
PubChem CID139592499
Molecular FormulaC22H20N4
Molecular Weight340.43 g/mol
Exact Mass340.17
IUPAC Name(1Z,9Z,13Z,19Z)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene
SMILESC1=C2/CC/C(=C3\CCc4cc([nH]c43)/C=c3/cc/c([nH]3)=C/c3ccc/1[nH]3)N2
InChIInChI=1S/C22H20N4/c1-7-20-21-8-6-18(25-21)11-16-3-2-14(23-16)10-15-4-5-17(24-15)12-19-9-13(1)22(20)26-19/h2-5,9-12,23-26H,1,6-8H2/b15-10-,17-12-,18-11-,21-20-
InChIKeyWRURTWIFRXGTEP-UXHRNZQSSA-N
XLogP2.72
TPSA59.40 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

Analyze (1Z,9Z,13Z,19Z)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1Z,9Z,13Z,19Z)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene?
The IUPAC name of (1Z,9Z,13Z,19Z)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene (CID 139592499) is (1Z,9Z,13Z,19Z)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene.
What is the SMILES notation for (1Z,9Z,13Z,19Z)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene?
The canonical SMILES for (1Z,9Z,13Z,19Z)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene is C1=C2/CC/C(=C3\CCc4cc([nH]c43)/C=c3/cc/c([nH]3)=C/c3ccc/1[nH]3)N2.
What is the InChIKey of (1Z,9Z,13Z,19Z)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene?
The InChIKey is WRURTWIFRXGTEP-UXHRNZQSSA-N. The full InChI is InChI=1S/C22H20N4/c1-7-20-21-8-6-18(25-21)11-16-3-2-14(23-16)10-15-4-5-17(24-15)12-19-9-13(1)22(20)26-19/h2-5,9-12,23-26H,1,6-8H2/b15-10-,17-12-,18-11-,21-20-.
What are the key properties of (1Z,9Z,13Z,19Z)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene?
(1Z,9Z,13Z,19Z)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene has a molecular weight of 340.43 g/mol, XLogP of 2.72, 0 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,9Z,13Z,19Z)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene is sourced from PubChem (CID 139592499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).