(17Z)-17,18-bis(ethenyl)-15,26-diazahexacyclo[17.7.0.02,7.08,16.09,14.020,25]hexacosa-1(19),2,4,6,8(16),9,11,13,17,20,22,24-dodecaene

C28H20N2 — CID 145241572

IUPAC(17Z)-17,18-bis(ethenyl)-15,26-diazahexacyclo[17.7.0.02,7.08,16.09,14.020,25]hexacosa-1(19),2,4,6,8(16),9,11,13,17,20,22,24-dodecaene
SMILESC=C/C1=C(\C=C)c2c([nH]c3ccccc23)-c2ccccc2-c2c1[nH]c1ccccc21
InChIInChI=1S/C28H20N2/c1-3-17-18(4-2)27-26(22-14-8-10-16-24(22)29-27)19-11-5-6-12-20(19)28-25(17)21-13-7-9-15-23(21)30-28/h3-16,29-30H,1-2H2/b18-17-,25-17-,26-19-,27-18+,28-20+
InChIKeyTYRDHHSRNLOAAC-HZCKISSQSA-N
MW384.48 g/mol
LogP7.58
Rot. Bonds2

About (17Z)-17,18-bis(ethenyl)-15,26-diazahexacyclo[17.7.0.02,7.08,16.09,14.020,25]hexacosa-1(19),2,4,6,8(16),9,11,13,17,20,22,24-dodecaene

(17Z)-17,18-bis(ethenyl)-15,26-diazahexacyclo[17.7.0.02,7.08,16.09,14.020,25]hexacosa-1(19),2,4,6,8(16),9,11,13,17,20,22,24-dodecaene (PubChem CID 145241572) has the molecular formula C28H20N2 and a molecular weight of 384.48 g/mol. Its IUPAC name is (17Z)-17,18-bis(ethenyl)-15,26-diazahexacyclo[17.7.0.02,7.08,16.09,14.020,25]hexacosa-1(19),2,4,6,8(16),9,11,13,17,20,22,24-dodecaene.

Molecular Properties

Compound Name(17Z)-17,18-bis(ethenyl)-15,26-diazahexacyclo[17.7.0.02,7.08,16.09,14.020,25]hexacosa-1(19),2,4,6,8(16),9,11,13,17,20,22,24-dodecaene
PubChem CID145241572
Molecular FormulaC28H20N2
Molecular Weight384.48 g/mol
Exact Mass384.16
IUPAC Name(17Z)-17,18-bis(ethenyl)-15,26-diazahexacyclo[17.7.0.02,7.08,16.09,14.020,25]hexacosa-1(19),2,4,6,8(16),9,11,13,17,20,22,24-dodecaene
SMILESC=C/C1=C(\C=C)c2c([nH]c3ccccc23)-c2ccccc2-c2c1[nH]c1ccccc21
InChIInChI=1S/C28H20N2/c1-3-17-18(4-2)27-26(22-14-8-10-16-24(22)29-27)19-11-5-6-12-20(19)28-25(17)21-13-7-9-15-23(21)30-28/h3-16,29-30H,1-2H2/b18-17-,25-17-,26-19-,27-18+,28-20+
InChIKeyTYRDHHSRNLOAAC-HZCKISSQSA-N
XLogP7.58
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 57.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze (17Z)-17,18-bis(ethenyl)-15,26-diazahexacyclo[17.7.0.02,7.08,16.09,14.020,25]hexacosa-1(19),2,4,6,8(16),9,11,13,17,20,22,24-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (17Z)-17,18-bis(ethenyl)-15,26-diazahexacyclo[17.7.0.02,7.08,16.09,14.020,25]hexacosa-1(19),2,4,6,8(16),9,11,13,17,20,22,24-dodecaene?
The IUPAC name of (17Z)-17,18-bis(ethenyl)-15,26-diazahexacyclo[17.7.0.02,7.08,16.09,14.020,25]hexacosa-1(19),2,4,6,8(16),9,11,13,17,20,22,24-dodecaene (CID 145241572) is (17Z)-17,18-bis(ethenyl)-15,26-diazahexacyclo[17.7.0.02,7.08,16.09,14.020,25]hexacosa-1(19),2,4,6,8(16),9,11,13,17,20,22,24-dodecaene.
What is the SMILES notation for (17Z)-17,18-bis(ethenyl)-15,26-diazahexacyclo[17.7.0.02,7.08,16.09,14.020,25]hexacosa-1(19),2,4,6,8(16),9,11,13,17,20,22,24-dodecaene?
The canonical SMILES for (17Z)-17,18-bis(ethenyl)-15,26-diazahexacyclo[17.7.0.02,7.08,16.09,14.020,25]hexacosa-1(19),2,4,6,8(16),9,11,13,17,20,22,24-dodecaene is C=C/C1=C(\C=C)c2c([nH]c3ccccc23)-c2ccccc2-c2c1[nH]c1ccccc21.
What is the InChIKey of (17Z)-17,18-bis(ethenyl)-15,26-diazahexacyclo[17.7.0.02,7.08,16.09,14.020,25]hexacosa-1(19),2,4,6,8(16),9,11,13,17,20,22,24-dodecaene?
The InChIKey is TYRDHHSRNLOAAC-HZCKISSQSA-N. The full InChI is InChI=1S/C28H20N2/c1-3-17-18(4-2)27-26(22-14-8-10-16-24(22)29-27)19-11-5-6-12-20(19)28-25(17)21-13-7-9-15-23(21)30-28/h3-16,29-30H,1-2H2/b18-17-,25-17-,26-19-,27-18+,28-20+.
What are the key properties of (17Z)-17,18-bis(ethenyl)-15,26-diazahexacyclo[17.7.0.02,7.08,16.09,14.020,25]hexacosa-1(19),2,4,6,8(16),9,11,13,17,20,22,24-dodecaene?
(17Z)-17,18-bis(ethenyl)-15,26-diazahexacyclo[17.7.0.02,7.08,16.09,14.020,25]hexacosa-1(19),2,4,6,8(16),9,11,13,17,20,22,24-dodecaene has a molecular weight of 384.48 g/mol, XLogP of 7.58, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (17Z)-17,18-bis(ethenyl)-15,26-diazahexacyclo[17.7.0.02,7.08,16.09,14.020,25]hexacosa-1(19),2,4,6,8(16),9,11,13,17,20,22,24-dodecaene is sourced from PubChem (CID 145241572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).