15-ethylidene-13-methylidene-14,24,25,26-tetrazapentacyclo[15.6.1.13,6.18,11.018,23]hexacosa-1(24),2,4,6(26),7,9,11,16,18,20,22-undecaene

C25H20N4 — CID 163611958

IUPAC15-ethylidene-13-methylidene-14,24,25,26-tetrazapentacyclo[15.6.1.13,6.18,11.018,23]hexacosa-1(24),2,4,6(26),7,9,11,16,18,20,22-undecaene
SMILESC=c1cc2ccc(cc3nc(cc4nc(cc(=CC)[nH]1)-c1ccccc1-4)C=C3)[nH]2
InChIInChI=1S/C25H20N4/c1-3-17-14-24-22-6-4-5-7-23(22)25(29-24)15-21-11-10-20(28-21)13-19-9-8-18(27-19)12-16(2)26-17/h3-15,26-27H,2H2,1H3/b17-3?,18-12-,19-13-,21-15-,24-14-
InChIKeyLGPGDBVQOSWFNS-DYMQQBEUSA-N
MW376.46 g/mol
LogP4.44
Rot. Bonds

About 15-ethylidene-13-methylidene-14,24,25,26-tetrazapentacyclo[15.6.1.13,6.18,11.018,23]hexacosa-1(24),2,4,6(26),7,9,11,16,18,20,22-undecaene

15-ethylidene-13-methylidene-14,24,25,26-tetrazapentacyclo[15.6.1.13,6.18,11.018,23]hexacosa-1(24),2,4,6(26),7,9,11,16,18,20,22-undecaene (PubChem CID 163611958) has the molecular formula C25H20N4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 15-ethylidene-13-methylidene-14,24,25,26-tetrazapentacyclo[15.6.1.13,6.18,11.018,23]hexacosa-1(24),2,4,6(26),7,9,11,16,18,20,22-undecaene.

Molecular Properties

Compound Name15-ethylidene-13-methylidene-14,24,25,26-tetrazapentacyclo[15.6.1.13,6.18,11.018,23]hexacosa-1(24),2,4,6(26),7,9,11,16,18,20,22-undecaene
PubChem CID163611958
Molecular FormulaC25H20N4
Molecular Weight376.46 g/mol
Exact Mass376.17
IUPAC Name15-ethylidene-13-methylidene-14,24,25,26-tetrazapentacyclo[15.6.1.13,6.18,11.018,23]hexacosa-1(24),2,4,6(26),7,9,11,16,18,20,22-undecaene
SMILESC=c1cc2ccc(cc3nc(cc4nc(cc(=CC)[nH]1)-c1ccccc1-4)C=C3)[nH]2
InChIInChI=1S/C25H20N4/c1-3-17-14-24-22-6-4-5-7-23(22)25(29-24)15-21-11-10-20(28-21)13-19-9-8-18(27-19)12-16(2)26-17/h3-15,26-27H,2H2,1H3/b17-3?,18-12-,19-13-,21-15-,24-14-
InChIKeyLGPGDBVQOSWFNS-DYMQQBEUSA-N
XLogP4.44
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 15-ethylidene-13-methylidene-14,24,25,26-tetrazapentacyclo[15.6.1.13,6.18,11.018,23]hexacosa-1(24),2,4,6(26),7,9,11,16,18,20,22-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-ethylidene-13-methylidene-14,24,25,26-tetrazapentacyclo[15.6.1.13,6.18,11.018,23]hexacosa-1(24),2,4,6(26),7,9,11,16,18,20,22-undecaene?
The IUPAC name of 15-ethylidene-13-methylidene-14,24,25,26-tetrazapentacyclo[15.6.1.13,6.18,11.018,23]hexacosa-1(24),2,4,6(26),7,9,11,16,18,20,22-undecaene (CID 163611958) is 15-ethylidene-13-methylidene-14,24,25,26-tetrazapentacyclo[15.6.1.13,6.18,11.018,23]hexacosa-1(24),2,4,6(26),7,9,11,16,18,20,22-undecaene.
What is the SMILES notation for 15-ethylidene-13-methylidene-14,24,25,26-tetrazapentacyclo[15.6.1.13,6.18,11.018,23]hexacosa-1(24),2,4,6(26),7,9,11,16,18,20,22-undecaene?
The canonical SMILES for 15-ethylidene-13-methylidene-14,24,25,26-tetrazapentacyclo[15.6.1.13,6.18,11.018,23]hexacosa-1(24),2,4,6(26),7,9,11,16,18,20,22-undecaene is C=c1cc2ccc(cc3nc(cc4nc(cc(=CC)[nH]1)-c1ccccc1-4)C=C3)[nH]2.
What is the InChIKey of 15-ethylidene-13-methylidene-14,24,25,26-tetrazapentacyclo[15.6.1.13,6.18,11.018,23]hexacosa-1(24),2,4,6(26),7,9,11,16,18,20,22-undecaene?
The InChIKey is LGPGDBVQOSWFNS-DYMQQBEUSA-N. The full InChI is InChI=1S/C25H20N4/c1-3-17-14-24-22-6-4-5-7-23(22)25(29-24)15-21-11-10-20(28-21)13-19-9-8-18(27-19)12-16(2)26-17/h3-15,26-27H,2H2,1H3/b17-3?,18-12-,19-13-,21-15-,24-14-.
What are the key properties of 15-ethylidene-13-methylidene-14,24,25,26-tetrazapentacyclo[15.6.1.13,6.18,11.018,23]hexacosa-1(24),2,4,6(26),7,9,11,16,18,20,22-undecaene?
15-ethylidene-13-methylidene-14,24,25,26-tetrazapentacyclo[15.6.1.13,6.18,11.018,23]hexacosa-1(24),2,4,6(26),7,9,11,16,18,20,22-undecaene has a molecular weight of 376.46 g/mol, XLogP of 4.44, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-ethylidene-13-methylidene-14,24,25,26-tetrazapentacyclo[15.6.1.13,6.18,11.018,23]hexacosa-1(24),2,4,6(26),7,9,11,16,18,20,22-undecaene is sourced from PubChem (CID 163611958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).