(5Z,7Z,10Z,13Z,15Z,18Z)-4,17-dimethylidene-10-prop-2-enylidene-20-azatricyclo[11.7.1.02,11]henicosa-1(20),2,5,7,13,15,18-heptaene

C25H25N — CID 174146155

IUPAC(5Z,7Z,10Z,13Z,15Z,18Z)-4,17-dimethylidene-10-prop-2-enylidene-20-azatricyclo[11.7.1.02,11]henicosa-1(20),2,5,7,13,15,18-heptaene
SMILESC=C/C=C1/C/C=C\C=C/C(=C)C=C2/C3=N/C=C\C(=C)/C=C\C=C(/C3)CC21
InChIInChI=1S/C25H25N/c1-4-9-22-13-7-5-6-10-20(3)16-24-23(22)17-21-12-8-11-19(2)14-15-26-25(24)18-21/h4-12,14-16,23H,1-3,13,17-18H2/b7-5-,10-6-,11-8-,15-14-,21-12-,22-9-,24-16?,26-25+
InChIKeyVOBFIGWKPKQULL-KXNMEFOXSA-N
MW339.48 g/mol
LogP6.51
Rot. Bonds1

About (5Z,7Z,10Z,13Z,15Z,18Z)-4,17-dimethylidene-10-prop-2-enylidene-20-azatricyclo[11.7.1.02,11]henicosa-1(20),2,5,7,13,15,18-heptaene

(5Z,7Z,10Z,13Z,15Z,18Z)-4,17-dimethylidene-10-prop-2-enylidene-20-azatricyclo[11.7.1.02,11]henicosa-1(20),2,5,7,13,15,18-heptaene (PubChem CID 174146155) has the molecular formula C25H25N and a molecular weight of 339.48 g/mol. Its IUPAC name is (5Z,7Z,10Z,13Z,15Z,18Z)-4,17-dimethylidene-10-prop-2-enylidene-20-azatricyclo[11.7.1.02,11]henicosa-1(20),2,5,7,13,15,18-heptaene.

Molecular Properties

Compound Name(5Z,7Z,10Z,13Z,15Z,18Z)-4,17-dimethylidene-10-prop-2-enylidene-20-azatricyclo[11.7.1.02,11]henicosa-1(20),2,5,7,13,15,18-heptaene
PubChem CID174146155
Molecular FormulaC25H25N
Molecular Weight339.48 g/mol
Exact Mass339.20
IUPAC Name(5Z,7Z,10Z,13Z,15Z,18Z)-4,17-dimethylidene-10-prop-2-enylidene-20-azatricyclo[11.7.1.02,11]henicosa-1(20),2,5,7,13,15,18-heptaene
SMILESC=C/C=C1/C/C=C\C=C/C(=C)C=C2/C3=N/C=C\C(=C)/C=C\C=C(/C3)CC21
InChIInChI=1S/C25H25N/c1-4-9-22-13-7-5-6-10-20(3)16-24-23(22)17-21-12-8-11-19(2)14-15-26-25(24)18-21/h4-12,14-16,23H,1-3,13,17-18H2/b7-5-,10-6-,11-8-,15-14-,21-12-,22-9-,24-16?,26-25+
InChIKeyVOBFIGWKPKQULL-KXNMEFOXSA-N
XLogP6.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5Z,7Z,10Z,13Z,15Z,18Z)-4,17-dimethylidene-10-prop-2-enylidene-20-azatricyclo[11.7.1.02,11]henicosa-1(20),2,5,7,13,15,18-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5Z,7Z,10Z,13Z,15Z,18Z)-4,17-dimethylidene-10-prop-2-enylidene-20-azatricyclo[11.7.1.02,11]henicosa-1(20),2,5,7,13,15,18-heptaene?
The IUPAC name of (5Z,7Z,10Z,13Z,15Z,18Z)-4,17-dimethylidene-10-prop-2-enylidene-20-azatricyclo[11.7.1.02,11]henicosa-1(20),2,5,7,13,15,18-heptaene (CID 174146155) is (5Z,7Z,10Z,13Z,15Z,18Z)-4,17-dimethylidene-10-prop-2-enylidene-20-azatricyclo[11.7.1.02,11]henicosa-1(20),2,5,7,13,15,18-heptaene.
What is the SMILES notation for (5Z,7Z,10Z,13Z,15Z,18Z)-4,17-dimethylidene-10-prop-2-enylidene-20-azatricyclo[11.7.1.02,11]henicosa-1(20),2,5,7,13,15,18-heptaene?
The canonical SMILES for (5Z,7Z,10Z,13Z,15Z,18Z)-4,17-dimethylidene-10-prop-2-enylidene-20-azatricyclo[11.7.1.02,11]henicosa-1(20),2,5,7,13,15,18-heptaene is C=C/C=C1/C/C=C\C=C/C(=C)C=C2/C3=N/C=C\C(=C)/C=C\C=C(/C3)CC21.
What is the InChIKey of (5Z,7Z,10Z,13Z,15Z,18Z)-4,17-dimethylidene-10-prop-2-enylidene-20-azatricyclo[11.7.1.02,11]henicosa-1(20),2,5,7,13,15,18-heptaene?
The InChIKey is VOBFIGWKPKQULL-KXNMEFOXSA-N. The full InChI is InChI=1S/C25H25N/c1-4-9-22-13-7-5-6-10-20(3)16-24-23(22)17-21-12-8-11-19(2)14-15-26-25(24)18-21/h4-12,14-16,23H,1-3,13,17-18H2/b7-5-,10-6-,11-8-,15-14-,21-12-,22-9-,24-16?,26-25+.
What are the key properties of (5Z,7Z,10Z,13Z,15Z,18Z)-4,17-dimethylidene-10-prop-2-enylidene-20-azatricyclo[11.7.1.02,11]henicosa-1(20),2,5,7,13,15,18-heptaene?
(5Z,7Z,10Z,13Z,15Z,18Z)-4,17-dimethylidene-10-prop-2-enylidene-20-azatricyclo[11.7.1.02,11]henicosa-1(20),2,5,7,13,15,18-heptaene has a molecular weight of 339.48 g/mol, XLogP of 6.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z,10Z,13Z,15Z,18Z)-4,17-dimethylidene-10-prop-2-enylidene-20-azatricyclo[11.7.1.02,11]henicosa-1(20),2,5,7,13,15,18-heptaene is sourced from PubChem (CID 174146155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).